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

C19H21NO2 — CID 125492559

IUPAC4-(1-benzylpiperidin-4-yl)benzoic acid
SMILESO=C(O)c1ccc(C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO2/c21-19(22)18-8-6-16(7-9-18)17-10-12-20(13-11-17)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,21,22)
InChIKeyUDSQKIWGURJCMQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.76
Rot. Bonds4

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

4-(1-benzylpiperidin-4-yl)benzoic acid (PubChem CID 125492559) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)benzoic acid
PubChem CID125492559
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-(1-benzylpiperidin-4-yl)benzoic acid
SMILESO=C(O)c1ccc(C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO2/c21-19(22)18-8-6-16(7-9-18)17-10-12-20(13-11-17)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,21,22)
InChIKeyUDSQKIWGURJCMQ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
4-[1-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]piperidin-4-yl]benzoic acid
CID 77137132
4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]benzoic acid
CID 122033759
2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 70002970
4-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725305
4-(1-benzylpiperidin-4-yl)benzonitrile
CID 70029902
N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide
CID 95176105
3-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032608
[4-(1-benzylpyrrolidin-3-yl)phenyl]methyl-tert-butylcarbamic acid
CID 54099067

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)benzoic acid?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)benzoic acid (CID 125492559) is 4-(1-benzylpiperidin-4-yl)benzoic acid.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)benzoic acid?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)benzoic acid is O=C(O)c1ccc(C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)benzoic acid?
The InChIKey is UDSQKIWGURJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(22)18-8-6-16(7-9-18)17-10-12-20(13-11-17)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,21,22).
What are the key properties of 4-(1-benzylpiperidin-4-yl)benzoic acid?
4-(1-benzylpiperidin-4-yl)benzoic acid has a molecular weight of 295.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)benzoic acid is sourced from PubChem (CID 125492559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).