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

C18H18ClFN2O2 — CID 56871751

IUPAC4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(Cl)cc2)CCN(c2ncccc2F)CC1
InChIInChI=1S/C18H18ClFN2O2/c19-14-5-3-13(4-6-14)12-18(17(23)24)7-10-22(11-8-18)16-15(20)2-1-9-21-16/h1-6,9H,7-8,10-12H2,(H,23,24)
InChIKeyZMTSKJUVUBRNMS-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.79
Rot. Bonds4

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

4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 56871751) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
PubChem CID56871751
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2ccc(Cl)cc2)CCN(c2ncccc2F)CC1
InChIInChI=1S/C18H18ClFN2O2/c19-14-5-3-13(4-6-14)12-18(17(23)24)7-10-22(11-8-18)16-15(20)2-1-9-21-16/h1-6,9H,7-8,10-12H2,(H,23,24)
InChIKeyZMTSKJUVUBRNMS-UHFFFAOYSA-N
XLogP3.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopentanecarboxylic acid, 1-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-
CID 126480545
Methyl 1-(4-chlorophenyl)-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopropane-1-carboxylate
CID 44420964
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-1-pyridin-2-ylpiperidin-3-yl]acetic acid
CID 118712500
2-[4-[6-Amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid
CID 162657906
2-[3-[6-Amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]-2-methylpropanoic acid
CID 162663752
3-[4-[6-Amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]propanoic acid
CID 162671261
2-[3-[4-(Trifluoromethyl)pyridin-2-yl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 73777174
2-((3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(4-methylpyridin-2-yl)-2-oxopiperidin-3-yl)acetic acid
CID 56591284
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(3-methyl-2-pyridinyl)-2-oxopiperidin-3-yl]acetic acid
CID 56591287
[2-(4-Chlorophenyl)-2-oxoethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 16284167
US9802924, Entry 36
CID 86272895
1-(2-Aminopyrimidin-4-yl)-4-(2-chlorobenzyl)piperidine-4-carboxylic acid
CID 56865345

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid (CID 56871751) is 4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid is O=C(O)C1(Cc2ccc(Cl)cc2)CCN(c2ncccc2F)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is ZMTSKJUVUBRNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-14-5-3-13(4-6-14)12-18(17(23)24)7-10-22(11-8-18)16-15(20)2-1-9-21-16/h1-6,9H,7-8,10-12H2,(H,23,24).
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid?
4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 348.81 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56871751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).