Name: Name:4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}benzoic acid
Brand: Angene
SKU: AG019W24
Rating: 90 (10 reviews)

4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}benzoic acid

CAS No.:

1094638-78-4

Catalog Number:

AG019W24

Molecular Formula:

C14H19NO3

Molecular Weight:

249.3056

Catalog Number:

AG019W24

Chemical Name:

4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}benzoic acid

CAS Number:

1094638-78-4

Molecular Formula:

C14H19NO3

Molecular Weight:

249.3056

MDL Number:

MFCD11523770

IUPAC Name:

4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid

InChI:

InChI=1S/C14H19NO3/c16-10-12-5-7-15(8-6-12)9-11-1-3-13(4-2-11)14(17)18/h1-4,12,16H,5-10H2,(H,17,18)

InChI Key:

JTDPUECZOFOMOS-UHFFFAOYSA-N

SMILES:

OCC1CCN(CC1)Cc1ccc(cc1)C(=O)O

Complexity:

266

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.31g/mol

Monoisotopic Mass:

249.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9