2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone

C10H17Cl3N2O — CID 82250186

IUPAC2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)CC1CNCCN1C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H17Cl3N2O/c1-7(2)5-8-6-14-3-4-15(8)9(16)10(11,12)13/h7-8,14H,3-6H2,1-2H3
InChIKeyQRHVUIZXHKTAEJ-UHFFFAOYSA-N
MW287.62 g/mol
LogP2.20
Rot. Bonds2

About 2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone

2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 82250186) has the molecular formula C10H17Cl3N2O and a molecular weight of 287.62 g/mol. Its IUPAC name is 2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID82250186
Molecular FormulaC10H17Cl3N2O
Molecular Weight287.62 g/mol
Exact Mass286.04
IUPAC Name2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)CC1CNCCN1C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H17Cl3N2O/c1-7(2)5-8-6-14-3-4-15(8)9(16)10(11,12)13/h7-8,14H,3-6H2,1-2H3
InChIKeyQRHVUIZXHKTAEJ-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.62
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone
CID 82246035
tert-butyl 4-[2-[(2S)-2-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 71033381
3-[(2S)-2-(2-methylpropyl)piperazin-1-yl]benzoic acid
CID 45072796
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
CID 84707228
2-ethylpiperazine-1-carbonyl chloride
CID 151342622
2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine
CID 112546747
1-(2-fluoroethyl)-2-(2-methylpropyl)piperazine
CID 80694838
1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one
CID 163271521
2-[[(2R)-2-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 45072806
[2-(2-methylpropyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119802221
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649453

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone (CID 82250186) is 2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone is CC(C)CC1CNCCN1C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is QRHVUIZXHKTAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl3N2O/c1-7(2)5-8-6-14-3-4-15(8)9(16)10(11,12)13/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone?
2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 287.62 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 82250186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).