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

C20H21F2NO — CID 10359210

IUPAC1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21F2NO/c21-18-5-1-16(2-6-18)14-23-11-9-15(10-12-23)13-20(24)17-3-7-19(22)8-4-17/h1-8,15H,9-14H2
InChIKeyRTAGZKGOWFALLV-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.45
Rot. Bonds5

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

1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone (PubChem CID 10359210) has the molecular formula C20H21F2NO and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone
PubChem CID10359210
Molecular FormulaC20H21F2NO
Molecular Weight329.39 g/mol
Exact Mass329.16
IUPAC Name1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21F2NO/c21-18-5-1-16(2-6-18)14-23-11-9-15(10-12-23)13-20(24)17-3-7-19(22)8-4-17/h1-8,15H,9-14H2
InChIKeyRTAGZKGOWFALLV-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15387
Melperone hydrochloride
CID 9926325
Lenperone
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DuP 734
CID 121967
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917
1-Phenyl-5-(piperidin-1-yl)pentan-1-one
CID 262634
Primaperone
CID 14641
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
Alpha-D2PV
CID 33957
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926
(1-Phenethyl-piperidin-4-yl)-phenyl-methanone
CID 10379653

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone (CID 10359210) is 1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone is O=C(CC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone?
The InChIKey is RTAGZKGOWFALLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO/c21-18-5-1-16(2-6-18)14-23-11-9-15(10-12-23)13-20(24)17-3-7-19(22)8-4-17/h1-8,15H,9-14H2.
What are the key properties of 1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone?
1-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone has a molecular weight of 329.39 g/mol, XLogP of 4.45, 5 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-[(4-fluorophenyl)methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 10359210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).