(3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid

C18H18F2N2O2 — CID 95551911

IUPAC(3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2ccc(F)cc2)CCCN(c2ncccc2F)C1
InChIInChI=1S/C18H18F2N2O2/c19-14-6-4-13(5-7-14)11-18(17(23)24)8-2-10-22(12-18)16-15(20)3-1-9-21-16/h1,3-7,9H,2,8,10-12H2,(H,23,24)/t18-/m1/s1
InChIKeyOOVBRWMAKAASFH-GOSISDBHSA-N
MW332.35 g/mol
LogP3.27
Rot. Bonds4

About (3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid

(3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid (PubChem CID 95551911) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is (3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid
PubChem CID95551911
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2ccc(F)cc2)CCCN(c2ncccc2F)C1
InChIInChI=1S/C18H18F2N2O2/c19-14-6-4-13(5-7-14)11-18(17(23)24)8-2-10-22(12-18)16-15(20)3-1-9-21-16/h1,3-7,9H,2,8,10-12H2,(H,23,24)/t18-/m1/s1
InChIKeyOOVBRWMAKAASFH-GOSISDBHSA-N
XLogP3.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid (CID 95551911) is (3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid is O=C(O)[C@@]1(Cc2ccc(F)cc2)CCCN(c2ncccc2F)C1.
What is the InChIKey of (3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid?
The InChIKey is OOVBRWMAKAASFH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-14-6-4-13(5-7-14)11-18(17(23)24)8-2-10-22(12-18)16-15(20)3-1-9-21-16/h1,3-7,9H,2,8,10-12H2,(H,23,24)/t18-/m1/s1.
What are the key properties of (3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid?
(3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid has a molecular weight of 332.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95551911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).