4-(3-phenylprop-2-ynyl)piperidin-4-ol

C14H17NO — CID 68725377

IUPAC4-(3-phenylprop-2-ynyl)piperidin-4-ol
SMILESOC1(CC#Cc2ccccc2)CCNCC1
InChIInChI=1S/C14H17NO/c16-14(9-11-15-12-10-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,15-16H,8-12H2
InChIKeyMJPMCYCDQYQGFH-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.54
Rot. Bonds1

About 4-(3-phenylprop-2-ynyl)piperidin-4-ol

4-(3-phenylprop-2-ynyl)piperidin-4-ol (PubChem CID 68725377) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(3-phenylprop-2-ynyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3-phenylprop-2-ynyl)piperidin-4-ol
PubChem CID68725377
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(3-phenylprop-2-ynyl)piperidin-4-ol
SMILESOC1(CC#Cc2ccccc2)CCNCC1
InChIInChI=1S/C14H17NO/c16-14(9-11-15-12-10-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,15-16H,8-12H2
InChIKeyMJPMCYCDQYQGFH-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
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-(3-phenylprop-2-ynyl)piperidin-4-ol?
The IUPAC name of 4-(3-phenylprop-2-ynyl)piperidin-4-ol (CID 68725377) is 4-(3-phenylprop-2-ynyl)piperidin-4-ol.
What is the SMILES notation for 4-(3-phenylprop-2-ynyl)piperidin-4-ol?
The canonical SMILES for 4-(3-phenylprop-2-ynyl)piperidin-4-ol is OC1(CC#Cc2ccccc2)CCNCC1.
What is the InChIKey of 4-(3-phenylprop-2-ynyl)piperidin-4-ol?
The InChIKey is MJPMCYCDQYQGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(9-11-15-12-10-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,15-16H,8-12H2.
What are the key properties of 4-(3-phenylprop-2-ynyl)piperidin-4-ol?
4-(3-phenylprop-2-ynyl)piperidin-4-ol has a molecular weight of 215.30 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylprop-2-ynyl)piperidin-4-ol is sourced from PubChem (CID 68725377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).