5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol

C13H23NO — CID 6936677

IUPAC5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol
SMILESC[C@H]1CCC[C@H](C)N1CC#CC(C)(C)O
InChIInChI=1S/C13H23NO/c1-11-7-5-8-12(2)14(11)10-6-9-13(3,4)15/h11-12,15H,5,7-8,10H2,1-4H3/t11-,12-/m0/s1
InChIKeyRCTTWLVFPRFKCS-RYUDHWBXSA-N
MW209.33 g/mol
LogP2.02
Rot. Bonds1

About 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol

5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol (PubChem CID 6936677) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol.

Molecular Properties

Compound Name5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol
PubChem CID6936677
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol
SMILESC[C@H]1CCC[C@H](C)N1CC#CC(C)(C)O
InChIInChI=1S/C13H23NO/c1-11-7-5-8-12(2)14(11)10-6-9-13(3,4)15/h11-12,15H,5,7-8,10H2,1-4H3/t11-,12-/m0/s1
InChIKeyRCTTWLVFPRFKCS-RYUDHWBXSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol?
The IUPAC name of 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol (CID 6936677) is 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol.
What is the SMILES notation for 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol?
The canonical SMILES for 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol is C[C@H]1CCC[C@H](C)N1CC#CC(C)(C)O.
What is the InChIKey of 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol?
The InChIKey is RCTTWLVFPRFKCS-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-7-5-8-12(2)14(11)10-6-9-13(3,4)15/h11-12,15H,5,7-8,10H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol?
5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol has a molecular weight of 209.33 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpent-3-yn-2-ol is sourced from PubChem (CID 6936677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).