2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one

C11H22N2O — CID 82241180

IUPAC2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCNCC1C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)10-7-12-5-6-13(10)11(14)9(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyVOALOWKRSQVGLW-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.10
Rot. Bonds2

About 2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one

2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 82241180) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID82241180
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)C(=O)N1CCNCC1C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)10-7-12-5-6-13(10)11(14)9(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyVOALOWKRSQVGLW-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82241133
methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride
CID 118918424
1-[(2S)-2-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 178149629
1-(2-propan-2-ylpiperazin-1-yl)butan-1-one
CID 82241181
(1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 177202758
2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 172777636
2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82240969
(3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82247226
3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246033
(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82246394
2-methyl-1-(3-propan-2-ylmorpholin-4-yl)propan-1-one
CID 139553994

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one (CID 82241180) is 2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)C(=O)N1CCNCC1C(C)C.
What is the InChIKey of 2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is VOALOWKRSQVGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)10-7-12-5-6-13(10)11(14)9(3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one?
2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 82241180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).