3-(3-methylbutyl)piperidine

C10H21N — CID 53409753

IUPAC3-(3-methylbutyl)piperidine
SMILESCC(C)CCC1CCCNC1
InChIInChI=1S/C10H21N/c1-9(2)5-6-10-4-3-7-11-8-10/h9-11H,3-8H2,1-2H3
InChIKeyYAHGEJCICHJXKP-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.42
Rot. Bonds3

About 3-(3-methylbutyl)piperidine

3-(3-methylbutyl)piperidine (PubChem CID 53409753) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 3-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name3-(3-methylbutyl)piperidine
PubChem CID53409753
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name3-(3-methylbutyl)piperidine
SMILESCC(C)CCC1CCCNC1
InChIInChI=1S/C10H21N/c1-9(2)5-6-10-4-3-7-11-8-10/h9-11H,3-8H2,1-2H3
InChIKeyYAHGEJCICHJXKP-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-methylbutyl)piperidine 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-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine
CID 78975359
5-methyl-N-(piperidin-3-ylmethyl)hexan-2-amine
CID 80553387
(3S)-3-(2-iodoethyl)piperidine
CID 97168699
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700
3-(2-methylpropyl)-azacyclododecane
CID 18705357
3-(2-methylpropyl)azecane
CID 91499893
4-pyrrolidin-3-ylbutan-2-ol
CID 82417870
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)piperidine?
The IUPAC name of 3-(3-methylbutyl)piperidine (CID 53409753) is 3-(3-methylbutyl)piperidine.
What is the SMILES notation for 3-(3-methylbutyl)piperidine?
The canonical SMILES for 3-(3-methylbutyl)piperidine is CC(C)CCC1CCCNC1.
What is the InChIKey of 3-(3-methylbutyl)piperidine?
The InChIKey is YAHGEJCICHJXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2)5-6-10-4-3-7-11-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(3-methylbutyl)piperidine?
3-(3-methylbutyl)piperidine has a molecular weight of 155.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)piperidine is sourced from PubChem (CID 53409753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).