1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride

C13H25ClN2O2 — CID 120570972

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
SMILESCC1NCCN(C(=O)CC2CCCCO2)C1C.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-10-11(2)15(7-6-14-10)13(16)9-12-5-3-4-8-17-12;/h10-12,14H,3-9H2,1-2H3;1H
InChIKeyHZGNMCIOEWFFTD-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.58
Rot. Bonds2

About 1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride

1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride (PubChem CID 120570972) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
PubChem CID120570972
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
SMILESCC1NCCN(C(=O)CC2CCCCO2)C1C.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-10-11(2)15(7-6-14-10)13(16)9-12-5-3-4-8-17-12;/h10-12,14H,3-9H2,1-2H3;1H
InChIKeyHZGNMCIOEWFFTD-UHFFFAOYSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-methylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 82704997
3-cyclohexyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120570290
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119259949
1-[2-(oxolan-2-yl)acetyl]azepane-2-carboxylic acid
CID 65156903
4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid
CID 114421923
methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate
CID 79832834
2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide
CID 128834356
1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile
CID 79085997
1-[2-(chloromethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65159488
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160741
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 81208543
2-(oxan-2-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120994581

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride (CID 120570972) is 1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride is CC1NCCN(C(=O)CC2CCCCO2)C1C.Cl.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride?
The InChIKey is HZGNMCIOEWFFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-10-11(2)15(7-6-14-10)13(16)9-12-5-3-4-8-17-12;/h10-12,14H,3-9H2,1-2H3;1H.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride?
1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 120570972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).