1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid

C19H20FNO2 — CID 91252279

IUPAC1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H20FNO2/c20-17-9-5-4-6-15(17)14-21-12-10-19(11-13-21,18(22)23)16-7-2-1-3-8-16/h1-9H,10-14H2,(H,22,23)
InChIKeyCRIKMOITPSHNCM-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.44
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid

1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 91252279) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID91252279
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H20FNO2/c20-17-9-5-4-6-15(17)14-21-12-10-19(11-13-21,18(22)23)16-7-2-1-3-8-16/h1-9H,10-14H2,(H,22,23)
InChIKeyCRIKMOITPSHNCM-UHFFFAOYSA-N
XLogP3.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-(2-fluorophenyl)-2-methylpropanoyl]-4-phenylpiperidine-4-carboxylic acid
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2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
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1-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]cyclopropane-1-carboxylic acid
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1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid
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1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine
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1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
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1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
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N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methyl-4-phenylpiperidine-4-carboxamide
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CID 155879946

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid (CID 91252279) is 1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid is O=C(O)C1(c2ccccc2)CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is CRIKMOITPSHNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-17-9-5-4-6-15(17)14-21-12-10-19(11-13-21,18(22)23)16-7-2-1-3-8-16/h1-9H,10-14H2,(H,22,23).
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid?
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 313.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 91252279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).