1-(2,2,4-trimethylpentyl)piperidine

C13H27N — CID 169190328

IUPAC1-(2,2,4-trimethylpentyl)piperidine
SMILESCC(C)CC(C)(C)CN1CCCCC1
InChIInChI=1S/C13H27N/c1-12(2)10-13(3,4)11-14-8-6-5-7-9-14/h12H,5-11H2,1-4H3
InChIKeyGOKPXEVCIODRHC-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds4

About 1-(2,2,4-trimethylpentyl)piperidine

1-(2,2,4-trimethylpentyl)piperidine (PubChem CID 169190328) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(2,2,4-trimethylpentyl)piperidine.

Molecular Properties

Compound Name1-(2,2,4-trimethylpentyl)piperidine
PubChem CID169190328
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(2,2,4-trimethylpentyl)piperidine
SMILESCC(C)CC(C)(C)CN1CCCCC1
InChIInChI=1S/C13H27N/c1-12(2)10-13(3,4)11-14-8-6-5-7-9-14/h12H,5-11H2,1-4H3
InChIKeyGOKPXEVCIODRHC-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,2,4-trimethylpentyl)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

ethane;1-propan-2-yl-4-(2,2,4-trimethylpentyl)piperazine
CID 145194127
3-methyl-1-(2,2,4-trimethylpentyl)piperidine
CID 118299028
1-(2,2,3-trimethylbutyl)piperidine
CID 123629740
1-(2,2-dimethylpropyl)azocane
CID 131007399
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
3,3-dimethyl-4-piperidin-1-ylbutanenitrile
CID 131142841
3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine
CID 66452958
2-methyl-5-[4-(2,2,4-trimethylpentyl)piperazin-1-yl]pyrazine
CID 142390525
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
2,2-dimethyl-N-(2-methylpropyl)-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 62974441
N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
CID 62262081

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4-trimethylpentyl)piperidine?
The IUPAC name of 1-(2,2,4-trimethylpentyl)piperidine (CID 169190328) is 1-(2,2,4-trimethylpentyl)piperidine.
What is the SMILES notation for 1-(2,2,4-trimethylpentyl)piperidine?
The canonical SMILES for 1-(2,2,4-trimethylpentyl)piperidine is CC(C)CC(C)(C)CN1CCCCC1.
What is the InChIKey of 1-(2,2,4-trimethylpentyl)piperidine?
The InChIKey is GOKPXEVCIODRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2)10-13(3,4)11-14-8-6-5-7-9-14/h12H,5-11H2,1-4H3.
What are the key properties of 1-(2,2,4-trimethylpentyl)piperidine?
1-(2,2,4-trimethylpentyl)piperidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4-trimethylpentyl)piperidine is sourced from PubChem (CID 169190328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).