3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine

C15H31N — CID 143176562

IUPAC3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine
SMILESCCC(C)(C)N1CCCC(CC(C)(C)C)C1
InChIInChI=1S/C15H31N/c1-7-15(5,6)16-10-8-9-13(12-16)11-14(2,3)4/h13H,7-12H2,1-6H3
InChIKeyLOAPJTBWAUITKQ-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.32
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine

3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine (PubChem CID 143176562) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine
PubChem CID143176562
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine
SMILESCCC(C)(C)N1CCCC(CC(C)(C)C)C1
InChIInChI=1S/C15H31N/c1-7-15(5,6)16-10-8-9-13(12-16)11-14(2,3)4/h13H,7-12H2,1-6H3
InChIKeyLOAPJTBWAUITKQ-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylbutan-2-yl)pyrrolidin-3-amine
CID 43315387
3-(2,2-dimethylpropyl)piperidin-1-amine
CID 155330418
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
(3R)-1-tert-butyl-3-propylpiperidine
CID 171581901
2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926914
3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine
CID 155259857
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401
1,4,7,10-tetrakis(2-methylbutan-2-yl)-1,4,7,10-tetrazacyclododecane
CID 139847650
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine
CID 155187142
3-(2,2-dimethylpropyl)piperidine-1-sulfonyl iodide
CID 88983075

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine (CID 143176562) is 3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine is CCC(C)(C)N1CCCC(CC(C)(C)C)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine?
The InChIKey is LOAPJTBWAUITKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-7-15(5,6)16-10-8-9-13(12-16)11-14(2,3)4/h13H,7-12H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine?
3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine has a molecular weight of 225.42 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine is sourced from PubChem (CID 143176562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).