2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one

C9H18N2O — CID 3485569

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCN(C)CC1
InChIInChI=1S/C9H18N2O/c1-8(2)9(12)11-6-4-10(3)5-7-11/h8H,4-7H2,1-3H3
InChIKeyBDRXIHMSZOYUAN-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.42
Rot. Bonds1

About 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one

2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 3485569) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID3485569
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCN(C)CC1
InChIInChI=1S/C9H18N2O/c1-8(2)9(12)11-6-4-10(3)5-7-11/h8H,4-7H2,1-3H3
InChIKeyBDRXIHMSZOYUAN-UHFFFAOYSA-N
XLogP0.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3273405
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 156637210
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 148838219
2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 43747773
(2R)-2-(dimethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one
CID 71000045
2-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122340964
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
CID 47127249
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 28745499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one (CID 3485569) is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one is CC(C)C(=O)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is BDRXIHMSZOYUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2)9(12)11-6-4-10(3)5-7-11/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one?
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 3485569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).