3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol

C13H23NO — CID 770249

IUPAC3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol
SMILESCCC(O)(C#CCN1CCCCC1)CC
InChIInChI=1S/C13H23NO/c1-3-13(15,4-2)9-8-12-14-10-6-5-7-11-14/h15H,3-7,10-12H2,1-2H3
InChIKeyCWLHFLKRKJLNOA-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.03
Rot. Bonds3

About 3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol

3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol (PubChem CID 770249) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol.

Molecular Properties

Compound Name3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol
PubChem CID770249
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol
SMILESCCC(O)(C#CCN1CCCCC1)CC
InChIInChI=1S/C13H23NO/c1-3-13(15,4-2)9-8-12-14-10-6-5-7-11-14/h15H,3-7,10-12H2,1-2H3
InChIKeyCWLHFLKRKJLNOA-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.03
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 3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol?
The IUPAC name of 3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol (CID 770249) is 3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol.
What is the SMILES notation for 3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol?
The canonical SMILES for 3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol is CCC(O)(C#CCN1CCCCC1)CC.
What is the InChIKey of 3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol?
The InChIKey is CWLHFLKRKJLNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-13(15,4-2)9-8-12-14-10-6-5-7-11-14/h15H,3-7,10-12H2,1-2H3.
What are the key properties of 3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol?
3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol has a molecular weight of 209.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-piperidin-1-ylhex-4-yn-3-ol is sourced from PubChem (CID 770249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).