3,6-dimethylpiperazin-2-one;hydrochloride

C6H13ClN2O — CID 74890092

IUPAC3,6-dimethylpiperazin-2-one;hydrochloride
SMILESCC1CNC(C)C(=O)N1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-4-3-7-5(2)6(9)8-4;/h4-5,7H,3H2,1-2H3,(H,8,9);1H
InChIKeyJCTNLEPFUYOFMH-UHFFFAOYSA-N
MW164.64 g/mol
LogP-0.10
Rot. Bonds

About 3,6-dimethylpiperazin-2-one;hydrochloride

3,6-dimethylpiperazin-2-one;hydrochloride (PubChem CID 74890092) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is 3,6-dimethylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name3,6-dimethylpiperazin-2-one;hydrochloride
PubChem CID74890092
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name3,6-dimethylpiperazin-2-one;hydrochloride
SMILESCC1CNC(C)C(=O)N1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-4-3-7-5(2)6(9)8-4;/h4-5,7H,3H2,1-2H3,(H,8,9);1H
InChIKeyJCTNLEPFUYOFMH-UHFFFAOYSA-N
XLogP-0.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one
CID 124552453
(3S,6S)-6-methyl-3-propylpiperazin-2-one
CID 91195931
3,7-dimethyl-1,4-diazepan-5-one
CID 55287243
6-methyl-3-(methylaminomethyl)piperazin-2-one
CID 171531095
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
3-methyl-6-(piperidine-3-carbonyl)piperazin-2-one
CID 82391645
4-[(2S,5S)-5-methyl-3-oxopiperazin-2-yl]benzoic acid
CID 125457971
(3S,6R)-6-methyl-3-[2-(trifluoromethyl)phenyl]piperazin-2-one
CID 125456068
(4aS,7S,8aS)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione
CID 92759363
(3S,6S)-3-hydroxy-6-methylpiperidin-2-one
CID 55287608
6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione
CID 20681320
(5S)-5-methylpyrrolidin-2-one;hydrochloride
CID 69463924

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylpiperazin-2-one;hydrochloride?
The IUPAC name of 3,6-dimethylpiperazin-2-one;hydrochloride (CID 74890092) is 3,6-dimethylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 3,6-dimethylpiperazin-2-one;hydrochloride?
The canonical SMILES for 3,6-dimethylpiperazin-2-one;hydrochloride is CC1CNC(C)C(=O)N1.Cl.
What is the InChIKey of 3,6-dimethylpiperazin-2-one;hydrochloride?
The InChIKey is JCTNLEPFUYOFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-4-3-7-5(2)6(9)8-4;/h4-5,7H,3H2,1-2H3,(H,8,9);1H.
What are the key properties of 3,6-dimethylpiperazin-2-one;hydrochloride?
3,6-dimethylpiperazin-2-one;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 74890092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).