(2S,6S)-2,6-di(propan-2-yl)piperidine;methane

C12H27N — CID 157197776

IUPAC(2S,6S)-2,6-di(propan-2-yl)piperidine;methane
SMILESC.CC(C)[C@@H]1CCC[C@@H](C(C)C)N1
InChIInChI=1S/C11H23N.CH4/c1-8(2)10-6-5-7-11(12-10)9(3)4;/h8-12H,5-7H2,1-4H3;1H4/t10-,11-;/m0./s1
InChIKeyAQLHHCZHRFQMQS-ACMTZBLWSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds2

About (2S,6S)-2,6-di(propan-2-yl)piperidine;methane

(2S,6S)-2,6-di(propan-2-yl)piperidine;methane (PubChem CID 157197776) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (2S,6S)-2,6-di(propan-2-yl)piperidine;methane.

Molecular Properties

Compound Name(2S,6S)-2,6-di(propan-2-yl)piperidine;methane
PubChem CID157197776
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(2S,6S)-2,6-di(propan-2-yl)piperidine;methane
SMILESC.CC(C)[C@@H]1CCC[C@@H](C(C)C)N1
InChIInChI=1S/C11H23N.CH4/c1-8(2)10-6-5-7-11(12-10)9(3)4;/h8-12H,5-7H2,1-4H3;1H4/t10-,11-;/m0./s1
InChIKeyAQLHHCZHRFQMQS-ACMTZBLWSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethyl)-6-propan-2-ylpiperidine;ethane
CID 170772133
methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane
CID 159611359
(2S)-2-propan-2-ylpiperidine
CID 7022854
ethane;2-propan-2-ylpiperidine
CID 154671868
(2R)-2-propan-2-ylazepane
CID 7048221
3-propan-2-yldiazinane
CID 153427717
5-propan-2-ylpyrrolidine-2-carbonitrile
CID 84762546
2,5-di(propan-2-yl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrimidin-5-ium
CID 118546819
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
4-propan-2-yl-1,3-diazinane
CID 58473806
(2R,3R)-2-cyclobutyl-3-propan-2-ylaziridine
CID 171423027
2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 129290042

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-di(propan-2-yl)piperidine;methane?
The IUPAC name of (2S,6S)-2,6-di(propan-2-yl)piperidine;methane (CID 157197776) is (2S,6S)-2,6-di(propan-2-yl)piperidine;methane.
What is the SMILES notation for (2S,6S)-2,6-di(propan-2-yl)piperidine;methane?
The canonical SMILES for (2S,6S)-2,6-di(propan-2-yl)piperidine;methane is C.CC(C)[C@@H]1CCC[C@@H](C(C)C)N1.
What is the InChIKey of (2S,6S)-2,6-di(propan-2-yl)piperidine;methane?
The InChIKey is AQLHHCZHRFQMQS-ACMTZBLWSA-N. The full InChI is InChI=1S/C11H23N.CH4/c1-8(2)10-6-5-7-11(12-10)9(3)4;/h8-12H,5-7H2,1-4H3;1H4/t10-,11-;/m0./s1.
What are the key properties of (2S,6S)-2,6-di(propan-2-yl)piperidine;methane?
(2S,6S)-2,6-di(propan-2-yl)piperidine;methane has a molecular weight of 185.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-di(propan-2-yl)piperidine;methane is sourced from PubChem (CID 157197776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).