Name: Name:Benzenemethanol, 4-(4-methyl-1-piperidinyl)-3-nitro-
Brand: Angene
SKU: AG00IM1D
Rating: 90 (10 reviews)

Benzenemethanol, 4-(4-methyl-1-piperidinyl)-3-nitro-

CAS No.:

791587-68-3

Catalog Number:

AG00IM1D

Molecular Formula:

C13H18N2O3

Molecular Weight:

250.2936

Catalog Number:

AG00IM1D

Chemical Name:

Benzenemethanol, 4-(4-methyl-1-piperidinyl)-3-nitro-

CAS Number:

791587-68-3

Molecular Formula:

C13H18N2O3

Molecular Weight:

250.2936

MDL Number:

MFCD11541916

IUPAC Name:

[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methanol

InChI:

InChI=1S/C13H18N2O3/c1-10-4-6-14(7-5-10)12-3-2-11(9-16)8-13(12)15(17)18/h2-3,8,10,16H,4-7,9H2,1H3

InChI Key:

CPGZBKYOATXYFO-UHFFFAOYSA-N

SMILES:

OCc1ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)C

Complexity:

285

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.298g/mol

Monoisotopic Mass:

250.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3