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

C12H25ClN2O — CID 119580889

IUPAC4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
SMILESCC1CN(C(=O)CCC(C)(C)C)CCN1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10-9-14(8-7-13-10)11(15)5-6-12(2,3)4;/h10,13H,5-9H2,1-4H3;1H
InChIKeyOKOSTORFHHGTJM-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.05
Rot. Bonds2

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

4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride (PubChem CID 119580889) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
PubChem CID119580889
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
SMILESCC1CN(C(=O)CCC(C)(C)C)CCN1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10-9-14(8-7-13-10)11(15)5-6-12(2,3)4;/h10,13H,5-9H2,1-4H3;1H
InChIKeyOKOSTORFHHGTJM-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride
CID 119564749
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
4-cyclohexyl-1-(3-methylpiperazin-1-yl)butan-1-one
CID 115273103
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
3,4,4-trimethyl-1-[(3S)-3-methylpiperazin-1-yl]pentan-1-one
CID 81427089
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580841
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 119580581
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057
tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
CID 24820292

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride?
The IUPAC name of 4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride (CID 119580889) is 4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride is CC1CN(C(=O)CCC(C)(C)C)CCN1.Cl.
What is the InChIKey of 4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride?
The InChIKey is OKOSTORFHHGTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10-9-14(8-7-13-10)11(15)5-6-12(2,3)4;/h10,13H,5-9H2,1-4H3;1H.
What are the key properties of 4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride?
4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 119580889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).