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

C21H24F2N2O — CID 110658326

IUPAC(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCC1CN(C(=O)c2ccc(F)c(F)c2)CC(C)N1CCc1ccccc1
InChIInChI=1S/C21H24F2N2O/c1-15-13-24(21(26)18-8-9-19(22)20(23)12-18)14-16(2)25(15)11-10-17-6-4-3-5-7-17/h3-9,12,15-16H,10-11,13-14H2,1-2H3
InChIKeyKRQNLRMPPCOUJC-UHFFFAOYSA-N
MW358.43 g/mol
LogP3.74
Rot. Bonds4

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

(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 110658326) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID110658326
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC Name(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCC1CN(C(=O)c2ccc(F)c(F)c2)CC(C)N1CCc1ccccc1
InChIInChI=1S/C21H24F2N2O/c1-15-13-24(21(26)18-8-9-19(22)20(23)12-18)14-16(2)25(15)11-10-17-6-4-3-5-7-17/h3-9,12,15-16H,10-11,13-14H2,1-2H3
InChIKeyKRQNLRMPPCOUJC-UHFFFAOYSA-N
XLogP3.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658185
(3-bromophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658298
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90513799
(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110393968
N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide
CID 90513547
4-[3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110658310
[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 110658291
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone
CID 110657704
1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110393954
(3,4-dichlorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658142
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone
CID 103576062
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone (CID 110658326) is (3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone is CC1CN(C(=O)c2ccc(F)c(F)c2)CC(C)N1CCc1ccccc1.
What is the InChIKey of (3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is KRQNLRMPPCOUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O/c1-15-13-24(21(26)18-8-9-19(22)20(23)12-18)14-16(2)25(15)11-10-17-6-4-3-5-7-17/h3-9,12,15-16H,10-11,13-14H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 358.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110658326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).