(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine

C15H31N — CID 164846076

IUPAC(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine
SMILESC[C@H]1CC(C(C)(C)C)C[C@H](C)N1C(C)(C)C
InChIInChI=1S/C15H31N/c1-11-9-13(14(3,4)5)10-12(2)16(11)15(6,7)8/h11-13H,9-10H2,1-8H3/t11-,12-/m0/s1
InChIKeyIEJGHPBWAIWMRA-RYUDHWBXSA-N
MW225.42 g/mol
LogP4.32
Rot. Bonds

About (2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine

(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine (PubChem CID 164846076) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine
PubChem CID164846076
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine
SMILESC[C@H]1CC(C(C)(C)C)C[C@H](C)N1C(C)(C)C
InChIInChI=1S/C15H31N/c1-11-9-13(14(3,4)5)10-12(2)16(11)15(6,7)8/h11-13H,9-10H2,1-8H3/t11-,12-/m0/s1
InChIKeyIEJGHPBWAIWMRA-RYUDHWBXSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

(1R,5S)-3-tert-butylbicyclo[3.1.0]hexane
CID 172509136
(2S,3aS,7aS)-1,2-ditert-butyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59701515
3,6-ditert-butyl-2,4-dimethyl-3-azabicyclo[3.1.1]heptane
CID 138627504
(2S,3aS,6aS)-1,2-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2S,3aS,7aS)-1,2-ditert-butyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 159306478
6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 176841935
1,3,5-tritert-butylpiperidine
CID 118013533
1-tert-butyl-3-methylcyclobutane;ethane;propane
CID 143337581
(1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane
CID 153298728
4-tert-butyl-1-fluoro-2-methylcyclopentane
CID 170179064
trans-(2R,6R)-4-tert-butyl-2,6-dimethylcyclohexan-1-one
CID 102330787
1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane
CID 59391818
3-tert-butylbicyclo[3.2.1]octane
CID 21352039

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine?
The IUPAC name of (2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine (CID 164846076) is (2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine.
What is the SMILES notation for (2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine?
The canonical SMILES for (2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine is C[C@H]1CC(C(C)(C)C)C[C@H](C)N1C(C)(C)C.
What is the InChIKey of (2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine?
The InChIKey is IEJGHPBWAIWMRA-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H31N/c1-11-9-13(14(3,4)5)10-12(2)16(11)15(6,7)8/h11-13H,9-10H2,1-8H3/t11-,12-/m0/s1.
What are the key properties of (2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine?
(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine has a molecular weight of 225.42 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine is sourced from PubChem (CID 164846076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).