(2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone

C15H20ClFN2O — CID 82252121

IUPAC(2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CC1CN(C(=O)c2c(F)cccc2Cl)CCN1
InChIInChI=1S/C15H20ClFN2O/c1-10(2)8-11-9-19(7-6-18-11)15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyRTVKTDAKHPTREM-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.94
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 82252121) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID82252121
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name(2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CC1CN(C(=O)c2c(F)cccc2Cl)CCN1
InChIInChI=1S/C15H20ClFN2O/c1-10(2)8-11-9-19(7-6-18-11)15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyRTVKTDAKHPTREM-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.94
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
(3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82249342
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82243423
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
1-(2-chloro-6-fluorobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002767
[3-(bromomethyl)pyrrolidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80667434
1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119938052
(2-bromo-6-fluorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 113265714
(2-chloro-6-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638999

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone (CID 82252121) is (2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CC1CN(C(=O)c2c(F)cccc2Cl)CCN1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is RTVKTDAKHPTREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-10(2)8-11-9-19(7-6-18-11)15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11,18H,6-9H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 298.79 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 82252121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).