[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride

C24H29ClF2N2O — CID 155894968

IUPAC[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride
SMILESCl.O=C(C1CCCCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28F2N2O.ClH/c25-21-10-6-18(7-11-21)23(19-8-12-22(26)13-9-19)27-14-16-28(17-15-27)24(29)20-4-2-1-3-5-20;/h6-13,20,23H,1-5,14-17H2;1H
InChIKeyPIXRWNJNSRDZGQ-UHFFFAOYSA-N
MW434.96 g/mol
LogP5.20
Rot. Bonds4

About [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride

[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride (PubChem CID 155894968) has the molecular formula C24H29ClF2N2O and a molecular weight of 434.96 g/mol. Its IUPAC name is [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride
PubChem CID155894968
Molecular FormulaC24H29ClF2N2O
Molecular Weight434.96 g/mol
Exact Mass434.19
IUPAC Name[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride
SMILESCl.O=C(C1CCCCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28F2N2O.ClH/c25-21-10-6-18(7-11-21)23(19-8-12-22(26)13-9-19)27-14-16-28(17-15-27)24(29)20-4-2-1-3-5-20;/h6-13,20,23H,1-5,14-17H2;1H
InChIKeyPIXRWNJNSRDZGQ-UHFFFAOYSA-N
XLogP5.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.96
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-[(3S)-1-methylpyrrolidin-3-yl]methanone
CID 96580820
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile
CID 110349596
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
cyclohexyl-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31667720
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
(2R)-2-[4-[(1R)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile
CID 31789000
1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5027825
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-[(2R,5S)-1-ethyl-5-phenylpyrrolidin-2-yl]methanone
CID 10278043

Frequently Asked Questions

What is the IUPAC name of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride?
The IUPAC name of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride (CID 155894968) is [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride.
What is the SMILES notation for [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride?
The canonical SMILES for [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride is Cl.O=C(C1CCCCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride?
The InChIKey is PIXRWNJNSRDZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O.ClH/c25-21-10-6-18(7-11-21)23(19-8-12-22(26)13-9-19)27-14-16-28(17-15-27)24(29)20-4-2-1-3-5-20;/h6-13,20,23H,1-5,14-17H2;1H.
What are the key properties of [4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride?
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-cyclohexylmethanone;hydrochloride has a molecular weight of 434.96 g/mol, XLogP of 5.20, 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]-cyclohexylmethanone;hydrochloride is sourced from PubChem (CID 155894968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).