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

C15H20F2N2O — CID 82249342

IUPAC(3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CC1CN(C(=O)c2ccc(F)c(F)c2)CCN1
InChIInChI=1S/C15H20F2N2O/c1-10(2)7-12-9-19(6-5-18-12)15(20)11-3-4-13(16)14(17)8-11/h3-4,8,10,12,18H,5-7,9H2,1-2H3
InChIKeyOPZUILQKOUJHBF-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.42
Rot. Bonds3

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

(3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 82249342) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID82249342
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CC1CN(C(=O)c2ccc(F)c(F)c2)CCN1
InChIInChI=1S/C15H20F2N2O/c1-10(2)7-12-9-19(6-5-18-12)15(20)11-3-4-13(16)14(17)8-11/h3-4,8,10,12,18H,5-7,9H2,1-2H3
InChIKeyOPZUILQKOUJHBF-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82246689
(2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82252121
(3,4-difluorophenyl)-(3-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 82249346
1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine
CID 64924018
furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82243423
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
(2-methoxyphenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82248431
3-(2-methylpropyl)piperazine-1-carboxamide
CID 90242604
N,N-dimethyl-3-(2-methylpropyl)piperazine-1-carboxamide
CID 82241726
1-(3,4-difluorophenyl)-2-(4-methylpiperazin-2-yl)ethanone
CID 116920019

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone (CID 82249342) is (3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CC1CN(C(=O)c2ccc(F)c(F)c2)CCN1.
What is the InChIKey of (3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is OPZUILQKOUJHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10(2)7-12-9-19(6-5-18-12)15(20)11-3-4-13(16)14(17)8-11/h3-4,8,10,12,18H,5-7,9H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 282.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 82249342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).