4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride

C19H22ClNO2 — CID 146018012

IUPAC4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO2.ClH/c21-19(22)18-8-6-15(7-9-18)14-20-12-10-17(11-13-20)16-4-2-1-3-5-16;/h1-9,17H,10-14H2,(H,21,22);1H
InChIKeyOYVKJONVAAJCJK-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.19
Rot. Bonds4

About 4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride

4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride (PubChem CID 146018012) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
PubChem CID146018012
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO2.ClH/c21-19(22)18-8-6-15(7-9-18)14-20-12-10-17(11-13-20)16-4-2-1-3-5-16;/h1-9,17H,10-14H2,(H,21,22);1H
InChIKeyOYVKJONVAAJCJK-UHFFFAOYSA-N
XLogP4.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]benzoic acid
CID 122033759
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 70002970
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
N-methyl-4-[[(4R)-4-phenylazepan-1-yl]methyl]benzamide
CID 95176105
4-[1-[[4-(2,3-dihydro-1,4-benzodioxin-3-yl)phenyl]methyl]piperidin-4-yl]benzoic acid
CID 77137132
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoic acid
CID 103498140
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
4-[[4-(5-chloropyrimidin-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 136549785
4-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725305

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride?
The IUPAC name of 4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride (CID 146018012) is 4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride.
What is the SMILES notation for 4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride?
The canonical SMILES for 4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride is Cl.O=C(O)c1ccc(CN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride?
The InChIKey is OYVKJONVAAJCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.ClH/c21-19(22)18-8-6-15(7-9-18)14-20-12-10-17(11-13-20)16-4-2-1-3-5-16;/h1-9,17H,10-14H2,(H,21,22);1H.
What are the key properties of 4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride?
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride is sourced from PubChem (CID 146018012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).