1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride

C10H20ClN3O — CID 130878732

IUPAC1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(C2CNC2)C(C)C1.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-8-7-12(9(2)14)3-4-13(8)10-5-11-6-10;/h8,10-11H,3-7H2,1-2H3;1H
InChIKeyZBMDQBLETAQZKC-UHFFFAOYSA-N
MW233.74 g/mol
LogP-0.07
Rot. Bonds1

About 1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride

1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride (PubChem CID 130878732) has the molecular formula C10H20ClN3O and a molecular weight of 233.74 g/mol. Its IUPAC name is 1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride
PubChem CID130878732
Molecular FormulaC10H20ClN3O
Molecular Weight233.74 g/mol
Exact Mass233.13
IUPAC Name1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(C2CNC2)C(C)C1.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-8-7-12(9(2)14)3-4-13(8)10-5-11-6-10;/h8,10-11H,3-7H2,1-2H3;1H
InChIKeyZBMDQBLETAQZKC-UHFFFAOYSA-N
XLogP-0.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethanone;dihydrochloride
CID 119032040
1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 66568110
4-cycloheptyl-3-methylpiperazine-1-carboxylic acid
CID 146188408
tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate
CID 86700515
1-[(9aS)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]ethanone
CID 66667512
tert-butyl 4-[5-(chloromethoxycarbonyl)piperidin-3-yl]-3-methylpiperazine-1-carboxylate
CID 165454299
1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone
CID 166469294
N,N,3-trimethyl-4-(3-methylcyclobutyl)piperazine-1-carboxamide
CID 170078871
1-[(2R)-2,6-dimethylpiperazin-1-yl]ethanone
CID 143550985
1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 12914605
4-(azetidin-3-yl)-5-methyl-1,4-thiazepane 1,1-dioxide;hydrochloride
CID 131159815
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride (CID 130878732) is 1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride is CC(=O)N1CCN(C2CNC2)C(C)C1.Cl.
What is the InChIKey of 1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride?
The InChIKey is ZBMDQBLETAQZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.ClH/c1-8-7-12(9(2)14)3-4-13(8)10-5-11-6-10;/h8,10-11H,3-7H2,1-2H3;1H.
What are the key properties of 1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride?
1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidin-3-yl)-3-methylpiperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 130878732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).