(2R,6S)-2,4,6-trimethylpiperidin-4-ol

C8H17NO — CID 168826968

IUPAC(2R,6S)-2,4,6-trimethylpiperidin-4-ol
SMILESC[C@@H]1CC(C)(O)C[C@H](C)N1
InChIInChI=1S/C8H17NO/c1-6-4-8(3,10)5-7(2)9-6/h6-7,9-10H,4-5H2,1-3H3/t6-,7+,8?
InChIKeyAGAPVEHFXIWQAH-DHBOJHSNSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds

About (2R,6S)-2,4,6-trimethylpiperidin-4-ol

(2R,6S)-2,4,6-trimethylpiperidin-4-ol (PubChem CID 168826968) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2R,6S)-2,4,6-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,6S)-2,4,6-trimethylpiperidin-4-ol
PubChem CID168826968
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2R,6S)-2,4,6-trimethylpiperidin-4-ol
SMILESC[C@@H]1CC(C)(O)C[C@H](C)N1
InChIInChI=1S/C8H17NO/c1-6-4-8(3,10)5-7(2)9-6/h6-7,9-10H,4-5H2,1-3H3/t6-,7+,8?
InChIKeyAGAPVEHFXIWQAH-DHBOJHSNSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,4,6-trimethylpiperidin-4-ol?
The IUPAC name of (2R,6S)-2,4,6-trimethylpiperidin-4-ol (CID 168826968) is (2R,6S)-2,4,6-trimethylpiperidin-4-ol.
What is the SMILES notation for (2R,6S)-2,4,6-trimethylpiperidin-4-ol?
The canonical SMILES for (2R,6S)-2,4,6-trimethylpiperidin-4-ol is C[C@@H]1CC(C)(O)C[C@H](C)N1.
What is the InChIKey of (2R,6S)-2,4,6-trimethylpiperidin-4-ol?
The InChIKey is AGAPVEHFXIWQAH-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-4-8(3,10)5-7(2)9-6/h6-7,9-10H,4-5H2,1-3H3/t6-,7+,8?.
What are the key properties of (2R,6S)-2,4,6-trimethylpiperidin-4-ol?
(2R,6S)-2,4,6-trimethylpiperidin-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,4,6-trimethylpiperidin-4-ol is sourced from PubChem (CID 168826968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).