[4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone

C25H24ClFN2O — CID 134796278

IUPAC[4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(-c2ccccc2CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C25H24ClFN2O/c1-18-6-7-20(16-24(18)26)23-5-3-2-4-21(23)17-28-12-14-29(15-13-28)25(30)19-8-10-22(27)11-9-19/h2-11,16H,12-15,17H2,1H3
InChIKeyMEASWNWNCXKWHH-UHFFFAOYSA-N
MW422.93 g/mol
LogP5.41
Rot. Bonds4

About [4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone

[4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 134796278) has the molecular formula C25H24ClFN2O and a molecular weight of 422.93 g/mol. Its IUPAC name is [4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID134796278
Molecular FormulaC25H24ClFN2O
Molecular Weight422.93 g/mol
Exact Mass422.16
IUPAC Name[4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(-c2ccccc2CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl
InChIInChI=1S/C25H24ClFN2O/c1-18-6-7-20(16-24(18)26)23-5-3-2-4-21(23)17-28-12-14-29(15-13-28)25(30)19-8-10-22(27)11-9-19/h2-11,16H,12-15,17H2,1H3
InChIKeyMEASWNWNCXKWHH-UHFFFAOYSA-N
XLogP5.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.93
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 55827633
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398984
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 19294945
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 8642477
(4-fluorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4742848
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
1-[1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperidine-4-carbonyl]piperidine-4-carbonitrile
CID 134799329
[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327432

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone (CID 134796278) is [4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone is Cc1ccc(-c2ccccc2CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl.
What is the InChIKey of [4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is MEASWNWNCXKWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2O/c1-18-6-7-20(16-24(18)26)23-5-3-2-4-21(23)17-28-12-14-29(15-13-28)25(30)19-8-10-22(27)11-9-19/h2-11,16H,12-15,17H2,1H3.
What are the key properties of [4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 422.93 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 134796278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).