4-(3-phenylphenyl)piperidine-1-carboxylic acid

C18H19NO2 — CID 151080045

IUPAC4-(3-phenylphenyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C18H19NO2/c20-18(21)19-11-9-15(10-12-19)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2,(H,20,21)
InChIKeyMJXVAYLVRSVLMQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.21
Rot. Bonds2

About 4-(3-phenylphenyl)piperidine-1-carboxylic acid

4-(3-phenylphenyl)piperidine-1-carboxylic acid (PubChem CID 151080045) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(3-phenylphenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-phenylphenyl)piperidine-1-carboxylic acid
PubChem CID151080045
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-(3-phenylphenyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C18H19NO2/c20-18(21)19-11-9-15(10-12-19)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2,(H,20,21)
InChIKeyMJXVAYLVRSVLMQ-UHFFFAOYSA-N
XLogP4.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
3-(3-phenylphenyl)piperidine-1-carbonyl chloride
CID 139549078
2-amino-3-(4-chlorophenyl)-1-[4-(3-phenylphenyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 69237841
4-(4-phenylphenyl)piperidine-1-carboxamide
CID 173092095
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
4-(3-phenylphenyl)piperidine
CID 54258001
4-(3-phenylphenyl)piperazine-1-carboxylic acid
CID 69366548
4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid
CID 166759957
1-[4-[3-(cyclohexen-1-yl)phenyl]piperidin-1-yl]ethanone
CID 141166525
tert-butyl 3-(3-phenylphenyl)piperidine-1-carboxylate
CID 155788326
4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid
CID 68865260
2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone
CID 171682100

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-phenylphenyl)piperidine-1-carboxylic acid (CID 151080045) is 4-(3-phenylphenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-phenylphenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-phenylphenyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of 4-(3-phenylphenyl)piperidine-1-carboxylic acid?
The InChIKey is MJXVAYLVRSVLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21)19-11-9-15(10-12-19)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2,(H,20,21).
What are the key properties of 4-(3-phenylphenyl)piperidine-1-carboxylic acid?
4-(3-phenylphenyl)piperidine-1-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 151080045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).