Home Other Building Blocks 3-(4-methylphenyl)-1-(piperidin-3-ylmethyl)urea

3-(4-methylphenyl)-1-(piperidin-3-ylmethyl)urea

CAS No.:
1154198-16-9
Catalog Number:
AG01A9HY
Molecular Formula:
C14H21N3O
Molecular Weight:
247.3360
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Product Description
Catalog Number:
AG01A9HY
Chemical Name:
3-(4-methylphenyl)-1-(piperidin-3-ylmethyl)urea
CAS Number:
1154198-16-9
Molecular Formula:
C14H21N3O
Molecular Weight:
247.3360
MDL Number:
MFCD11979622
IUPAC Name:
1-(4-methylphenyl)-3-(piperidin-3-ylmethyl)urea
InChI:
InChI=1S/C14H21N3O/c1-11-4-6-13(7-5-11)17-14(18)16-10-12-3-2-8-15-9-12/h4-7,12,15H,2-3,8-10H2,1H3,(H2,16,17,18)
InChI Key:
VXBTULRBWHCYSC-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C)NCC1CCCNC1
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.168g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
247.342g/mol
Monoisotopic Mass:
247.168g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties