3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one

C12H24N2O — CID 119473625

IUPAC3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
SMILESCC(C)C(C)CC(=O)N1CCNCC1C
InChIInChI=1S/C12H24N2O/c1-9(2)10(3)7-12(15)14-6-5-13-8-11(14)4/h9-11,13H,5-8H2,1-4H3
InChIKeyRKJXIRWZZZLWTI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.49
Rot. Bonds3

About 3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one

3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one (PubChem CID 119473625) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
PubChem CID119473625
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
SMILESCC(C)C(C)CC(=O)N1CCNCC1C
InChIInChI=1S/C12H24N2O/c1-9(2)10(3)7-12(15)14-6-5-13-8-11(14)4/h9-11,13H,5-8H2,1-4H3
InChIKeyRKJXIRWZZZLWTI-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-methylpiperazin-1-yl)butan-1-one
CID 128919979
1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 119470224
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882
3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82755732
(3S)-1-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124570764
2-(3-methylbutylsulfanyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472598
(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 124571039
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one (CID 119473625) is 3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one is CC(C)C(C)CC(=O)N1CCNCC1C.
What is the InChIKey of 3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one?
The InChIKey is RKJXIRWZZZLWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)10(3)7-12(15)14-6-5-13-8-11(14)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one?
3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.49, 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-(2-methylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 119473625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).