[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone

C25H24F2N2O — CID 17312855

IUPAC[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H24F2N2O/c1-18-2-4-21(5-3-18)25(30)29-16-14-28(15-17-29)24(19-6-10-22(26)11-7-19)20-8-12-23(27)13-9-20/h2-13,24H,14-17H2,1H3
InChIKeyIHOKYPNHLGXQFJ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.82
Rot. Bonds4

About [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone

[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 17312855) has the molecular formula C25H24F2N2O and a molecular weight of 406.48 g/mol. Its IUPAC name is [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID17312855
Molecular FormulaC25H24F2N2O
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H24F2N2O/c1-18-2-4-21(5-3-18)25(30)29-16-14-28(15-17-29)24(19-6-10-22(26)11-7-19)20-8-12-23(27)13-9-20/h2-13,24H,14-17H2,1H3
InChIKeyIHOKYPNHLGXQFJ-UHFFFAOYSA-N
XLogP4.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
AR-M1000390
CID 9841259
N,N'-dibenzoylpiperazine
CID 80185
N,N-Dibenzylbenzamide
CID 101312
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917
4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155537428
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
N,N-dicyclohexyl-2,6-difluorobenzamide
CID 875986
Azd-2327
CID 11525765

Frequently Asked Questions

What is the IUPAC name of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 17312855) is [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is IHOKYPNHLGXQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O/c1-18-2-4-21(5-3-18)25(30)29-16-14-28(15-17-29)24(19-6-10-22(26)11-7-19)20-8-12-23(27)13-9-20/h2-13,24H,14-17H2,1H3.
What are the key properties of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 406.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 17312855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).