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

C20H22F2N2O — CID 110658185

IUPAC(3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCC1CN(C(=O)c2ccc(F)c(F)c2)CCN1CCc1ccccc1
InChIInChI=1S/C20H22F2N2O/c1-15-14-24(20(25)17-7-8-18(21)19(22)13-17)12-11-23(15)10-9-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyZIUGKHAMXLBFIZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.35
Rot. Bonds4

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

(3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 110658185) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID110658185
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCC1CN(C(=O)c2ccc(F)c(F)c2)CCN1CCc1ccccc1
InChIInChI=1S/C20H22F2N2O/c1-15-14-24(20(25)17-7-8-18(21)19(22)13-17)12-11-23(15)10-9-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyZIUGKHAMXLBFIZ-UHFFFAOYSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658326
(3,4-dichlorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658142
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110658186
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90513799
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110658125
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
N-benzyl-1-(3,4-difluorobenzoyl)-N-methylazetidine-3-carboxamide
CID 90513547
(3-bromophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658298
(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124953550
(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110657781
3-[[4-(4-amino-3-fluorobenzoyl)-2-methylpiperazin-1-yl]methyl]-N-tert-butylbenzamide
CID 66879095

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone (CID 110658185) is (3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone is CC1CN(C(=O)c2ccc(F)c(F)c2)CCN1CCc1ccccc1.
What is the InChIKey of (3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is ZIUGKHAMXLBFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-15-14-24(20(25)17-7-8-18(21)19(22)13-17)12-11-23(15)10-9-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of (3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 344.41 g/mol, XLogP of 3.35, 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-methyl-4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110658185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).