1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone

C13H25NO — CID 167711467

IUPAC1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1(C)CCN(CCC(C)C)CC1
InChIInChI=1S/C13H25NO/c1-11(2)5-8-14-9-6-13(4,7-10-14)12(3)15/h11H,5-10H2,1-4H3
InChIKeyNVXSFRSIZXJYNE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds4

About 1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone

1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone (PubChem CID 167711467) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone
PubChem CID167711467
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1(C)CCN(CCC(C)C)CC1
InChIInChI=1S/C13H25NO/c1-11(2)5-8-14-9-6-13(4,7-10-14)12(3)15/h11H,5-10H2,1-4H3
InChIKeyNVXSFRSIZXJYNE-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone 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

4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
CID 55168038
4-(aminomethyl)-1-(3-methylbutyl)piperidin-4-ol
CID 82282305
4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 107162056
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
[2-[4-(3-methylbutyl)piperazin-1-yl]-2-oxoethyl] acetate
CID 163778051
1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 156551441
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 79854884
2-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
CID 82148052
2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone (CID 167711467) is 1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone is CC(=O)C1(C)CCN(CCC(C)C)CC1.
What is the InChIKey of 1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone?
The InChIKey is NVXSFRSIZXJYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)5-8-14-9-6-13(4,7-10-14)12(3)15/h11H,5-10H2,1-4H3.
What are the key properties of 1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone?
1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone has a molecular weight of 211.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 167711467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).