2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid

C19H19ClFNO2 — CID 140984887

IUPAC2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClFNO2/c20-15-3-1-13(2-4-15)12-22-9-7-14(8-10-22)18-11-16(21)5-6-17(18)19(23)24/h1-6,11,14H,7-10,12H2,(H,23,24)
InChIKeyPNEYMETVAJITNH-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.56
Rot. Bonds4

About 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid

2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid (PubChem CID 140984887) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid
PubChem CID140984887
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClFNO2/c20-15-3-1-13(2-4-15)12-22-9-7-14(8-10-22)18-11-16(21)5-6-17(18)19(23)24/h1-6,11,14H,7-10,12H2,(H,23,24)
InChIKeyPNEYMETVAJITNH-UHFFFAOYSA-N
XLogP4.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid (CID 140984887) is 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid?
The InChIKey is PNEYMETVAJITNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c20-15-3-1-13(2-4-15)12-22-9-7-14(8-10-22)18-11-16(21)5-6-17(18)19(23)24/h1-6,11,14H,7-10,12H2,(H,23,24).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid?
2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid has a molecular weight of 347.82 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzoic acid is sourced from PubChem (CID 140984887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).