3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one

C11H22N2O — CID 116915795

IUPAC3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one
SMILESCN1CCCC(C(=O)CC(C)(C)N)C1
InChIInChI=1S/C11H22N2O/c1-11(2,12)7-10(14)9-5-4-6-13(3)8-9/h9H,4-8,12H2,1-3H3
InChIKeyJWEQPZZKIXAIEF-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds3

About 3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one

3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one (PubChem CID 116915795) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one
PubChem CID116915795
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one
SMILESCN1CCCC(C(=O)CC(C)(C)N)C1
InChIInChI=1S/C11H22N2O/c1-11(2,12)7-10(14)9-5-4-6-13(3)8-9/h9H,4-8,12H2,1-3H3
InChIKeyJWEQPZZKIXAIEF-UHFFFAOYSA-N
XLogP1.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 96635007
3-amino-1-cyclopentyl-3-methylbutan-1-one
CID 82412671
1-(1-methylpiperidin-3-yl)-2-sulfanylethanone
CID 116829941
2,2-dimethyl-1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 155222976
2-(1-methylpiperidin-3-yl)-2-oxoethanesulfonyl chloride
CID 115043394
2-(ethylamino)-1-(1-methylpiperidin-3-yl)ethanone
CID 116916675
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
3-chloro-1-(1-methylpiperidin-3-yl)propane-1,2-dione
CID 116822710
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carbothioic S-acid
CID 116918903
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
CID 116918923

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one?
The IUPAC name of 3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one (CID 116915795) is 3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one.
What is the SMILES notation for 3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one?
The canonical SMILES for 3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one is CN1CCCC(C(=O)CC(C)(C)N)C1.
What is the InChIKey of 3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one?
The InChIKey is JWEQPZZKIXAIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,12)7-10(14)9-5-4-6-13(3)8-9/h9H,4-8,12H2,1-3H3.
What are the key properties of 3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one?
3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one is sourced from PubChem (CID 116915795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).