(2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol

C10H17NO — CID 7032041

IUPAC(2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol
SMILESC#CC1(O)C[C@H](C)N(C)[C@@H](C)C1
InChIInChI=1S/C10H17NO/c1-5-10(12)6-8(2)11(4)9(3)7-10/h1,8-9,12H,6-7H2,2-4H3/t8-,9-/m0/s1
InChIKeyRPYVIDQHSNAQAX-IUCAKERBSA-N
MW167.25 g/mol
LogP0.85
Rot. Bonds

About (2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol

(2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol (PubChem CID 7032041) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol
PubChem CID7032041
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol
SMILESC#CC1(O)C[C@H](C)N(C)[C@@H](C)C1
InChIInChI=1S/C10H17NO/c1-5-10(12)6-8(2)11(4)9(3)7-10/h1,8-9,12H,6-7H2,2-4H3/t8-,9-/m0/s1
InChIKeyRPYVIDQHSNAQAX-IUCAKERBSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol?
The IUPAC name of (2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol (CID 7032041) is (2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol.
What is the SMILES notation for (2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol?
The canonical SMILES for (2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol is C#CC1(O)C[C@H](C)N(C)[C@@H](C)C1.
What is the InChIKey of (2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol?
The InChIKey is RPYVIDQHSNAQAX-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-10(12)6-8(2)11(4)9(3)7-10/h1,8-9,12H,6-7H2,2-4H3/t8-,9-/m0/s1.
What are the key properties of (2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol?
(2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol has a molecular weight of 167.25 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-ethynyl-1,2,6-trimethylpiperidin-4-ol is sourced from PubChem (CID 7032041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).