(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

C18H18F2N2O — CID 9151566

IUPAC(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C18H18F2N2O/c1-13-4-2-3-5-17(13)21-6-8-22(9-7-21)18(23)14-10-15(19)12-16(20)11-14/h2-5,10-12H,6-9H2,1H3
InChIKeyJYUFGLUOHMWPBU-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.24
Rot. Bonds2

About (3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 9151566) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID9151566
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C18H18F2N2O/c1-13-4-2-3-5-17(13)21-6-8-22(9-7-21)18(23)14-10-15(19)12-16(20)11-14/h2-5,10-12H,6-9H2,1H3
InChIKeyJYUFGLUOHMWPBU-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

(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 589575
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 18147919
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 40676851
(4-methyl-3-nitrophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151572
[4-(5-amino-2-methylphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 96693276
1-[3-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9153319
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
[4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone
CID 1246661
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 9151566) is (3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of (3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is JYUFGLUOHMWPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-13-4-2-3-5-17(13)21-6-8-22(9-7-21)18(23)14-10-15(19)12-16(20)11-14/h2-5,10-12H,6-9H2,1H3.
What are the key properties of (3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(3,5-difluorophenyl)-[4-(2-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 (3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9151566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).