3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride

C12H25ClN2O — CID 119580841

IUPAC3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
SMILESCC1CN(C(=O)CC(C)C(C)C)CCN1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)10(3)7-12(15)14-6-5-13-11(4)8-14;/h9-11,13H,5-8H2,1-4H3;1H
InChIKeyLVPMQFDDGSCFFI-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.91
Rot. Bonds3

About 3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride

3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride (PubChem CID 119580841) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
PubChem CID119580841
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
SMILESCC1CN(C(=O)CC(C)C(C)C)CCN1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)10(3)7-12(15)14-6-5-13-11(4)8-14;/h9-11,13H,5-8H2,1-4H3;1H
InChIKeyLVPMQFDDGSCFFI-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4-trimethyl-1-[(3S)-3-methylpiperazin-1-yl]pentan-1-one
CID 81427089
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 119577168
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 119577234
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
N,N,3-trimethylpiperazine-1-carboxamide
CID 14090595
1-(3-methylpiperazin-1-yl)-3-pyridin-4-ylbutan-1-one
CID 122147864
4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580889
1-(3-methylpiperazin-1-yl)-2-propylsulfanylethanone
CID 119578055
(3R)-3-(2-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 124591145
1-[(3S)-3-methylpiperazin-1-yl]but-3-en-1-one
CID 104976240

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride?
The IUPAC name of 3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride (CID 119580841) is 3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride is CC1CN(C(=O)CC(C)C(C)C)CCN1.Cl.
What is the InChIKey of 3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride?
The InChIKey is LVPMQFDDGSCFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-9(2)10(3)7-12(15)14-6-5-13-11(4)8-14;/h9-11,13H,5-8H2,1-4H3;1H.
What are the key properties of 3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride?
3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 119580841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).