1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine

C18H37N — CID 176826648

IUPAC1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
SMILESCC(C)(C)CCCC1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C18H37N/c1-17(2,3)11-7-8-16-9-13-19(14-10-16)15-12-18(4,5)6/h16H,7-15H2,1-6H3
InChIKeyIMTXPIKNQUJCCH-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.35
Rot. Bonds5

About 1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine

1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine (PubChem CID 176826648) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
PubChem CID176826648
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
SMILESCC(C)(C)CCCC1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C18H37N/c1-17(2,3)11-7-8-16-9-13-19(14-10-16)15-12-18(4,5)6/h16H,7-15H2,1-6H3
InChIKeyIMTXPIKNQUJCCH-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)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

1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838867
3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80690905
3-(2-chloroethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 114800614
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
4,4-dimethylpentylcycloundecane
CID 176613669
4-(3,3-dimethylbutyl)-1-ethylpiperidine
CID 58286807
1-[4-[1-(3,3-dimethylbutyl)azepan-4-yl]-3,3-dimethylbutyl]azocane
CID 170446747
1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 155244121
1-(3,3-dimethylbutyl)azocane
CID 166986973
1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine
CID 155706081
4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine
CID 139341902

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine (CID 176826648) is 1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine is CC(C)(C)CCCC1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine?
The InChIKey is IMTXPIKNQUJCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-17(2,3)11-7-8-16-9-13-19(14-10-16)15-12-18(4,5)6/h16H,7-15H2,1-6H3.
What are the key properties of 1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine?
1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine has a molecular weight of 267.50 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine is sourced from PubChem (CID 176826648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).