1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid

C19H19ClFNO2 — CID 3477520

IUPAC1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccc(Cl)cc2)c2cccc(F)c2)CC1
InChIInChI=1S/C19H19ClFNO2/c20-16-6-4-13(5-7-16)18(15-2-1-3-17(21)12-15)22-10-8-14(9-11-22)19(23)24/h1-7,12,14,18H,8-11H2,(H,23,24)
InChIKeyCIKQOKFISVXEDM-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.37
Rot. Bonds4

About 1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid

1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3477520) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
PubChem CID3477520
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(c2ccc(Cl)cc2)c2cccc(F)c2)CC1
InChIInChI=1S/C19H19ClFNO2/c20-16-6-4-13(5-7-16)18(15-2-1-3-17(21)12-15)22-10-8-14(9-11-22)19(23)24/h1-7,12,14,18H,8-11H2,(H,23,24)
InChIKeyCIKQOKFISVXEDM-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid (CID 3477520) is 1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(c2ccc(Cl)cc2)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is CIKQOKFISVXEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c20-16-6-4-13(5-7-16)18(15-2-1-3-17(21)12-15)22-10-8-14(9-11-22)19(23)24/h1-7,12,14,18H,8-11H2,(H,23,24).
What are the key properties of 1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid?
1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 347.82 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3477520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).