2-(4-phenylpiperidin-1-yl)benzoic acid

C18H19NO2 — CID 125468631

IUPAC2-(4-phenylpiperidin-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H19NO2/c20-18(21)16-8-4-5-9-17(16)19-12-10-15(11-13-19)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,21)
InChIKeySOOCBGLCEOZIDZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.77
Rot. Bonds3

About 2-(4-phenylpiperidin-1-yl)benzoic acid

2-(4-phenylpiperidin-1-yl)benzoic acid (PubChem CID 125468631) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)benzoic acid
PubChem CID125468631
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(4-phenylpiperidin-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H19NO2/c20-18(21)16-8-4-5-9-17(16)19-12-10-15(11-13-19)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,21)
InChIKeySOOCBGLCEOZIDZ-UHFFFAOYSA-N
XLogP3.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
2-(4-cyclopropylpiperazin-1-yl)benzoic acid
CID 28802166
2-(4-phenylpiperidin-1-yl)aniline
CID 139916911
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]benzoic acid
CID 129394712
2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
CID 102958633
2-(3-azabicyclo[3.1.0]hexan-3-yl)benzoic acid
CID 83819594
2-(3-fluoroazetidin-1-yl)benzoic acid
CID 105448715
1-(2-carboxyphenyl)piperidine-3-carboxylic acid
CID 82537818
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]benzoic acid
CID 129494363
2-(2-bromomorpholin-4-yl)benzoic acid
CID 175327642
2-[(3S)-3-[(1S)-1-hydroxyethyl]pyrrolidin-1-yl]benzoic acid
CID 129393692

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidin-1-yl)benzoic acid?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)benzoic acid (CID 125468631) is 2-(4-phenylpiperidin-1-yl)benzoic acid.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)benzoic acid?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)benzoic acid is O=C(O)c1ccccc1N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)benzoic acid?
The InChIKey is SOOCBGLCEOZIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21)16-8-4-5-9-17(16)19-12-10-15(11-13-19)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,21).
What are the key properties of 2-(4-phenylpiperidin-1-yl)benzoic acid?
2-(4-phenylpiperidin-1-yl)benzoic acid has a molecular weight of 281.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)benzoic acid is sourced from PubChem (CID 125468631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).