(2R,3S,6S)-2,3,6-trimethylpiperidine

C8H17N — CID 89331146

IUPAC(2R,3S,6S)-2,3,6-trimethylpiperidine
SMILESC[C@H]1CC[C@H](C)[C@@H](C)N1
InChIInChI=1S/C8H17N/c1-6-4-5-7(2)9-8(6)3/h6-9H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKeyVPTSQBHQXVQANU-BIIVOSGPSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds

About (2R,3S,6S)-2,3,6-trimethylpiperidine

(2R,3S,6S)-2,3,6-trimethylpiperidine (PubChem CID 89331146) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2R,3S,6S)-2,3,6-trimethylpiperidine.

Molecular Properties

Compound Name(2R,3S,6S)-2,3,6-trimethylpiperidine
PubChem CID89331146
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2R,3S,6S)-2,3,6-trimethylpiperidine
SMILESC[C@H]1CC[C@H](C)[C@@H](C)N1
InChIInChI=1S/C8H17N/c1-6-4-5-7(2)9-8(6)3/h6-9H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKeyVPTSQBHQXVQANU-BIIVOSGPSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2,3,6-trimethylpiperidine?
The IUPAC name of (2R,3S,6S)-2,3,6-trimethylpiperidine (CID 89331146) is (2R,3S,6S)-2,3,6-trimethylpiperidine.
What is the SMILES notation for (2R,3S,6S)-2,3,6-trimethylpiperidine?
The canonical SMILES for (2R,3S,6S)-2,3,6-trimethylpiperidine is C[C@H]1CC[C@H](C)[C@@H](C)N1.
What is the InChIKey of (2R,3S,6S)-2,3,6-trimethylpiperidine?
The InChIKey is VPTSQBHQXVQANU-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H17N/c1-6-4-5-7(2)9-8(6)3/h6-9H,4-5H2,1-3H3/t6-,7-,8+/m0/s1.
What are the key properties of (2R,3S,6S)-2,3,6-trimethylpiperidine?
(2R,3S,6S)-2,3,6-trimethylpiperidine has a molecular weight of 127.23 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2,3,6-trimethylpiperidine is sourced from PubChem (CID 89331146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).