4-(3-phenylpiperidin-1-yl)butanoic acid

C15H21NO2 — CID 156599277

IUPAC4-(3-phenylpiperidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCCC(c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c17-15(18)9-5-11-16-10-4-8-14(12-16)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,18)
InChIKeyKOFOPWDSWJNFNT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.73
Rot. Bonds5

About 4-(3-phenylpiperidin-1-yl)butanoic acid

4-(3-phenylpiperidin-1-yl)butanoic acid (PubChem CID 156599277) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(3-phenylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-phenylpiperidin-1-yl)butanoic acid
PubChem CID156599277
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(3-phenylpiperidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCCC(c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c17-15(18)9-5-11-16-10-4-8-14(12-16)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,18)
InChIKeyKOFOPWDSWJNFNT-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
3-phenyl-1-propylpiperidine
CID 12937946
4-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]butanoic acid
CID 124778661
4-[3-(3-decan-2-yloxyphenyl)piperidin-1-yl]butanoic acid
CID 123657572
4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
CID 119958693
2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
CID 95230194
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119137597
N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine
CID 72815918
4-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 129379773

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(3-phenylpiperidin-1-yl)butanoic acid (CID 156599277) is 4-(3-phenylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-phenylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(3-phenylpiperidin-1-yl)butanoic acid is O=C(O)CCCN1CCCC(c2ccccc2)C1.
What is the InChIKey of 4-(3-phenylpiperidin-1-yl)butanoic acid?
The InChIKey is KOFOPWDSWJNFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(18)9-5-11-16-10-4-8-14(12-16)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,18).
What are the key properties of 4-(3-phenylpiperidin-1-yl)butanoic acid?
4-(3-phenylpiperidin-1-yl)butanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 156599277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).