1-ethyl-4-(2-phenylethynyl)piperidin-4-ol

C15H19NO — CID 2729868

IUPAC1-ethyl-4-(2-phenylethynyl)piperidin-4-ol
SMILESCCN1CCC(O)(C#Cc2ccccc2)CC1
InChIInChI=1S/C15H19NO/c1-2-16-12-10-15(17,11-13-16)9-8-14-6-4-3-5-7-14/h3-7,17H,2,10-13H2,1H3
InChIKeyJAUDIHDLPBJLBV-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.88
Rot. Bonds1

About 1-ethyl-4-(2-phenylethynyl)piperidin-4-ol

1-ethyl-4-(2-phenylethynyl)piperidin-4-ol (PubChem CID 2729868) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-ethyl-4-(2-phenylethynyl)piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-(2-phenylethynyl)piperidin-4-ol
PubChem CID2729868
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-ethyl-4-(2-phenylethynyl)piperidin-4-ol
SMILESCCN1CCC(O)(C#Cc2ccccc2)CC1
InChIInChI=1S/C15H19NO/c1-2-16-12-10-15(17,11-13-16)9-8-14-6-4-3-5-7-14/h3-7,17H,2,10-13H2,1H3
InChIKeyJAUDIHDLPBJLBV-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.88
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 1-ethyl-4-(2-phenylethynyl)piperidin-4-ol?
The IUPAC name of 1-ethyl-4-(2-phenylethynyl)piperidin-4-ol (CID 2729868) is 1-ethyl-4-(2-phenylethynyl)piperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-(2-phenylethynyl)piperidin-4-ol?
The canonical SMILES for 1-ethyl-4-(2-phenylethynyl)piperidin-4-ol is CCN1CCC(O)(C#Cc2ccccc2)CC1.
What is the InChIKey of 1-ethyl-4-(2-phenylethynyl)piperidin-4-ol?
The InChIKey is JAUDIHDLPBJLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-16-12-10-15(17,11-13-16)9-8-14-6-4-3-5-7-14/h3-7,17H,2,10-13H2,1H3.
What are the key properties of 1-ethyl-4-(2-phenylethynyl)piperidin-4-ol?
1-ethyl-4-(2-phenylethynyl)piperidin-4-ol has a molecular weight of 229.32 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-phenylethynyl)piperidin-4-ol is sourced from PubChem (CID 2729868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).