4-hexan-3-yl-1,3,5-trimethylpiperidine

C14H29N — CID 167309553

IUPAC4-hexan-3-yl-1,3,5-trimethylpiperidine
SMILESCCCC(CC)C1C(C)CN(C)CC1C
InChIInChI=1S/C14H29N/c1-6-8-13(7-2)14-11(3)9-15(5)10-12(14)4/h11-14H,6-10H2,1-5H3
InChIKeyXFOADJDQPCLWAQ-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.65
Rot. Bonds4

About 4-hexan-3-yl-1,3,5-trimethylpiperidine

4-hexan-3-yl-1,3,5-trimethylpiperidine (PubChem CID 167309553) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 4-hexan-3-yl-1,3,5-trimethylpiperidine.

Molecular Properties

Compound Name4-hexan-3-yl-1,3,5-trimethylpiperidine
PubChem CID167309553
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name4-hexan-3-yl-1,3,5-trimethylpiperidine
SMILESCCCC(CC)C1C(C)CN(C)CC1C
InChIInChI=1S/C14H29N/c1-6-8-13(7-2)14-11(3)9-15(5)10-12(14)4/h11-14H,6-10H2,1-5H3
InChIKeyXFOADJDQPCLWAQ-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-hexan-3-yl-1,3,5-trimethylpiperidine 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

2-hexan-3-yl-1,3,4-trimethylcyclohexane
CID 123632457
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
1,3-dimethyl-2-pentan-3-ylcyclopentane
CID 123708942
3-(2-ethylpentyl)-1-methylazetidine
CID 142104566
3-hexan-3-yltricyclo[4.1.0.02,4]heptane
CID 163727409
1-methyl-2-(5-methyloctan-3-yl)cyclopropane
CID 123251321
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
1,3,4-trimethyl-5-propylpiperidine
CID 166940604
3-fluoro-1,5-dimethyl-4-propan-2-ylpiperidine
CID 156794238
propane;(2R)-1,2,4,6-tetramethylpiperazine
CID 143144472
cyclopropane;ethane;1-hexan-3-yl-2-methylcyclobutane;methylcyclopropane;propane
CID 143682571
1,3-dimethyl-4-pentylpyrrolidine
CID 145095379

Frequently Asked Questions

What is the IUPAC name of 4-hexan-3-yl-1,3,5-trimethylpiperidine?
The IUPAC name of 4-hexan-3-yl-1,3,5-trimethylpiperidine (CID 167309553) is 4-hexan-3-yl-1,3,5-trimethylpiperidine.
What is the SMILES notation for 4-hexan-3-yl-1,3,5-trimethylpiperidine?
The canonical SMILES for 4-hexan-3-yl-1,3,5-trimethylpiperidine is CCCC(CC)C1C(C)CN(C)CC1C.
What is the InChIKey of 4-hexan-3-yl-1,3,5-trimethylpiperidine?
The InChIKey is XFOADJDQPCLWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-8-13(7-2)14-11(3)9-15(5)10-12(14)4/h11-14H,6-10H2,1-5H3.
What are the key properties of 4-hexan-3-yl-1,3,5-trimethylpiperidine?
4-hexan-3-yl-1,3,5-trimethylpiperidine has a molecular weight of 211.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-3-yl-1,3,5-trimethylpiperidine is sourced from PubChem (CID 167309553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).