1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone

C21H24FNO — CID 10381687

IUPAC1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24FNO/c22-20-8-6-19(7-9-20)21(24)16-18-11-14-23(15-12-18)13-10-17-4-2-1-3-5-17/h1-9,18H,10-16H2
InChIKeyIMURQBPPOHDZAC-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.35
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone

1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone (PubChem CID 10381687) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone
PubChem CID10381687
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24FNO/c22-20-8-6-19(7-9-20)21(24)16-18-11-14-23(15-12-18)13-10-17-4-2-1-3-5-17/h1-9,18H,10-16H2
InChIKeyIMURQBPPOHDZAC-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tolperisone
CID 5511
Melperone
CID 15387
Eperisone
CID 3236
Tolperisone Hydrochloride
CID 92965
Melperone hydrochloride
CID 9926325
Eperisone Hydrochloride
CID 123698
Lenperone
CID 32593
DuP 734
CID 121967
3-Piperidinopropiophenone hydrochloride
CID 70171
4-(4-Fluorobenzoyl)piperidine
CID 2724440
1-Phenyl-5-(piperidin-1-yl)pentan-1-one
CID 262634
Primaperone
CID 14641

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone (CID 10381687) is 1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone is O=C(CC1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone?
The InChIKey is IMURQBPPOHDZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c22-20-8-6-19(7-9-20)21(24)16-18-11-14-23(15-12-18)13-10-17-4-2-1-3-5-17/h1-9,18H,10-16H2.
What are the key properties of 1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone?
1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone has a molecular weight of 325.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 10381687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).