4-ethynyl-1-(2-phenylethyl)piperidin-4-ol

C15H19NO — CID 3022004

IUPAC4-ethynyl-1-(2-phenylethyl)piperidin-4-ol
SMILESC#CC1(O)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C15H19NO/c1-2-15(17)9-12-16(13-10-15)11-8-14-6-4-3-5-7-14/h1,3-7,17H,8-13H2
InChIKeyGQNFQDAKDXRFNR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.69
Rot. Bonds3

About 4-ethynyl-1-(2-phenylethyl)piperidin-4-ol

4-ethynyl-1-(2-phenylethyl)piperidin-4-ol (PubChem CID 3022004) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-ethynyl-1-(2-phenylethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-ethynyl-1-(2-phenylethyl)piperidin-4-ol
PubChem CID3022004
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-ethynyl-1-(2-phenylethyl)piperidin-4-ol
SMILESC#CC1(O)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C15H19NO/c1-2-15(17)9-12-16(13-10-15)11-8-14-6-4-3-5-7-14/h1,3-7,17H,8-13H2
InChIKeyGQNFQDAKDXRFNR-UHFFFAOYSA-N
XLogP1.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.69
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 4-ethynyl-1-(2-phenylethyl)piperidin-4-ol?
The IUPAC name of 4-ethynyl-1-(2-phenylethyl)piperidin-4-ol (CID 3022004) is 4-ethynyl-1-(2-phenylethyl)piperidin-4-ol.
What is the SMILES notation for 4-ethynyl-1-(2-phenylethyl)piperidin-4-ol?
The canonical SMILES for 4-ethynyl-1-(2-phenylethyl)piperidin-4-ol is C#CC1(O)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-ethynyl-1-(2-phenylethyl)piperidin-4-ol?
The InChIKey is GQNFQDAKDXRFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-15(17)9-12-16(13-10-15)11-8-14-6-4-3-5-7-14/h1,3-7,17H,8-13H2.
What are the key properties of 4-ethynyl-1-(2-phenylethyl)piperidin-4-ol?
4-ethynyl-1-(2-phenylethyl)piperidin-4-ol has a molecular weight of 229.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(2-phenylethyl)piperidin-4-ol is sourced from PubChem (CID 3022004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).