1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid

C19H18FNO3 — CID 45433169

IUPAC1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(c1ccc(F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C19H18FNO3/c20-16-8-6-14(7-9-16)17(22)21-12-10-19(11-13-21,18(23)24)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,23,24)
InChIKeySMTGVMNMSJIORZ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.08
Rot. Bonds3

About 1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid

1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 45433169) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID45433169
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(c1ccc(F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C19H18FNO3/c20-16-8-6-14(7-9-16)17(22)21-12-10-19(11-13-21,18(23)24)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,23,24)
InChIKeySMTGVMNMSJIORZ-UHFFFAOYSA-N
XLogP3.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid (CID 45433169) is 1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid is O=C(c1ccc(F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is SMTGVMNMSJIORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-16-8-6-14(7-9-16)17(22)21-12-10-19(11-13-21,18(23)24)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,23,24).
What are the key properties of 1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid?
1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 45433169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).