Home Other Building Blocks benzyl N-{[3-(piperidin-4-yl)-1H-1,2,4-triazol-5-yl]methyl}carbamate dihydrochloride

benzyl N-{[3-(piperidin-4-yl)-1H-1,2,4-triazol-5-yl]methyl}carbamate dihydrochloride

CAS No.:
2044714-25-0
Catalog Number:
AG01BV14
Molecular Formula:
C16H23Cl2N5O2
Molecular Weight:
388.2921
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Product Description
Catalog Number:
AG01BV14
Chemical Name:
benzyl N-{[3-(piperidin-4-yl)-1H-1,2,4-triazol-5-yl]methyl}carbamate dihydrochloride
CAS Number:
2044714-25-0
Molecular Formula:
C16H23Cl2N5O2
Molecular Weight:
388.2921
MDL Number:
MFCD30476213
IUPAC Name:
benzyl N-[(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate;dihydrochloride
InChI:
InChI=1S/C16H21N5O2.2ClH/c22-16(23-11-12-4-2-1-3-5-12)18-10-14-19-15(21-20-14)13-6-8-17-9-7-13;;/h1-5,13,17H,6-11H2,(H,18,22)(H,19,20,21);2*1H
InChI Key:
RYABDUTVVRDIAP-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCc1[nH]nc(n1)C1CCNCC1.Cl.Cl
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.123g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
388.293g/mol
Monoisotopic Mass:
387.123g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties