4-(4-benzylpiperidin-1-yl)benzoic acid

C19H21NO2 — CID 22730857

IUPAC4-(4-benzylpiperidin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO2/c21-19(22)17-6-8-18(9-7-17)20-12-10-16(11-13-20)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,21,22)
InChIKeyNQNGXDCVKRIPLH-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.84
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)benzoic acid

4-(4-benzylpiperidin-1-yl)benzoic acid (PubChem CID 22730857) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)benzoic acid
PubChem CID22730857
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-(4-benzylpiperidin-1-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO2/c21-19(22)17-6-8-18(9-7-17)20-12-10-16(11-13-20)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,21,22)
InChIKeyNQNGXDCVKRIPLH-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 83971754
4-[[1-(4-formylphenyl)piperidin-4-yl]methyl]benzoic acid
CID 174842373
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
CID 107079799
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
CID 112985401
4-[[1-(4-piperidin-1-ylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 166621031
N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 112985405
1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8004165
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)benzoic acid?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)benzoic acid (CID 22730857) is 4-(4-benzylpiperidin-1-yl)benzoic acid.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)benzoic acid?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)benzoic acid is O=C(O)c1ccc(N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)benzoic acid?
The InChIKey is NQNGXDCVKRIPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(22)17-6-8-18(9-7-17)20-12-10-16(11-13-20)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,21,22).
What are the key properties of 4-(4-benzylpiperidin-1-yl)benzoic acid?
4-(4-benzylpiperidin-1-yl)benzoic acid has a molecular weight of 295.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)benzoic acid is sourced from PubChem (CID 22730857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).