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

C18H18ClFN2O — CID 100520261

IUPAC(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O/c1-13-2-7-16(17(19)12-13)18(23)22-10-8-21(9-11-22)15-5-3-14(20)4-6-15/h2-7,12H,8-11H2,1H3
InChIKeyKJTOUOMRSUESKA-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.75
Rot. Bonds2

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

(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 100520261) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID100520261
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O/c1-13-2-7-16(17(19)12-13)18(23)22-10-8-21(9-11-22)15-5-3-14(20)4-6-15/h2-7,12H,8-11H2,1H3
InChIKeyKJTOUOMRSUESKA-UHFFFAOYSA-N
XLogP3.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
(2-chloro-4-fluorophenyl)-[4-(3-methyl-4-nitrophenyl)piperazin-1-yl]methanone
CID 52807244
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(5-methyl-2-pyrrolidin-1-ylphenyl)methanone
CID 86962997
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110766155
(2,5-dimethylthiophen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9207325
(2,5-dichlorophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87029906
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
(2,3-dichlorophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87029905
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 100520261) is (2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is KJTOUOMRSUESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c1-13-2-7-16(17(19)12-13)18(23)22-10-8-21(9-11-22)15-5-3-14(20)4-6-15/h2-7,12H,8-11H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 332.81 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 100520261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).