1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one

C11H22N2O — CID 114498153

IUPAC1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(NC)C(C)C1
InChIInChI=1S/C11H22N2O/c1-4-5-11(14)13-7-6-10(12-3)9(2)8-13/h9-10,12H,4-8H2,1-3H3
InChIKeyBTRGHYWMRCUPFI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds3

About 1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one

1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one (PubChem CID 114498153) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
PubChem CID114498153
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(NC)C(C)C1
InChIInChI=1S/C11H22N2O/c1-4-5-11(14)13-7-6-10(12-3)9(2)8-13/h9-10,12H,4-8H2,1-3H3
InChIKeyBTRGHYWMRCUPFI-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one
CID 114498267
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 114498163
2-cyclobutyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161329
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
N-ethyl-3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498760
1-butanoyl-3-methylpiperidine-4-carboxylic acid
CID 20606403
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742
3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498750
2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
CID 114498212
2-(3-ethoxycyclobutyl)-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161328
1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 176981883

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one (CID 114498153) is 1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(NC)C(C)C1.
What is the InChIKey of 1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one?
The InChIKey is BTRGHYWMRCUPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-11(14)13-7-6-10(12-3)9(2)8-13/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one?
1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 114498153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).