(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

C18H18F2N2O — CID 17465933

IUPAC(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C18H18F2N2O/c1-13-3-2-4-15(11-13)21-7-9-22(10-8-21)18(23)14-5-6-16(19)17(20)12-14/h2-6,11-12H,7-10H2,1H3
InChIKeyWKCVZLMVYOCPHV-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.24
Rot. Bonds2

About (3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 17465933) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID17465933
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C18H18F2N2O/c1-13-3-2-4-15(11-13)21-7-9-22(10-8-21)18(23)14-5-6-16(19)17(20)12-14/h2-6,11-12H,7-10H2,1H3
InChIKeyWKCVZLMVYOCPHV-UHFFFAOYSA-N
XLogP3.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685
[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 86345157
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 17478919
[4-(3-methylphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 25398177
[4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 113077272

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 17465933) is (3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is WKCVZLMVYOCPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-13-3-2-4-15(11-13)21-7-9-22(10-8-21)18(23)14-5-6-16(19)17(20)12-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of (3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 316.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17465933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).