3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine

C13H27N — CID 146388853

IUPAC3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine
SMILESCCC(C)(C)C1CCCN(C(C)C)C1
InChIInChI=1S/C13H27N/c1-6-13(4,5)12-8-7-9-14(10-12)11(2)3/h11-12H,6-10H2,1-5H3
InChIKeyHLOLLHRBRUEUFK-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds3

About 3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine

3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine (PubChem CID 146388853) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine
PubChem CID146388853
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine
SMILESCCC(C)(C)C1CCCN(C(C)C)C1
InChIInChI=1S/C13H27N/c1-6-13(4,5)12-8-7-9-14(10-12)11(2)3/h11-12H,6-10H2,1-5H3
InChIKeyHLOLLHRBRUEUFK-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

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Related Compounds

ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 178173299
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
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3-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine
CID 146550207
4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 61209081
6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 170226749
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]propan-2-ol
CID 170928468
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 156551481
1-[2-(1-propan-2-ylazetidin-3-yl)propan-2-yl]pyrrolidine
CID 130233659
(3R)-N-ethyl-N-methyl-1-propan-2-ylpiperidin-3-amine
CID 164856684
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
2-[3-(1,1-difluoroethyl)piperidin-1-yl]butanoic acid
CID 121202512

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine (CID 146388853) is 3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine is CCC(C)(C)C1CCCN(C(C)C)C1.
What is the InChIKey of 3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine?
The InChIKey is HLOLLHRBRUEUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-13(4,5)12-8-7-9-14(10-12)11(2)3/h11-12H,6-10H2,1-5H3.
What are the key properties of 3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine?
3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 146388853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).