3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one

C12H23NO — CID 165474384

IUPAC3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one
SMILESCCC(C)C(=O)CC1CC(C)CCN1
InChIInChI=1S/C12H23NO/c1-4-10(3)12(14)8-11-7-9(2)5-6-13-11/h9-11,13H,4-8H2,1-3H3
InChIKeyBXNSZPQEECEFAI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.38
Rot. Bonds4

About 3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one

3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one (PubChem CID 165474384) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one
PubChem CID165474384
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one
SMILESCCC(C)C(=O)CC1CC(C)CCN1
InChIInChI=1S/C12H23NO/c1-4-10(3)12(14)8-11-7-9(2)5-6-13-11/h9-11,13H,4-8H2,1-3H3
InChIKeyBXNSZPQEECEFAI-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one
CID 116685291
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
ethane;2-ethyl-4-methylpiperidine
CID 142379207
3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one
CID 165485552
1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone
CID 107354754
butan-2-yl 4-methylpiperidine-2-carboxylate
CID 114425052
3-methyl-1-piperidin-3-ylpentan-2-one
CID 116564111
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 116685051
N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 114421199
2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
CID 116685103
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one?
The IUPAC name of 3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one (CID 165474384) is 3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one.
What is the SMILES notation for 3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one?
The canonical SMILES for 3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one is CCC(C)C(=O)CC1CC(C)CCN1.
What is the InChIKey of 3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one?
The InChIKey is BXNSZPQEECEFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(3)12(14)8-11-7-9(2)5-6-13-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one?
3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one is sourced from PubChem (CID 165474384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).