3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol

C15H19NO2 — CID 82922577

IUPAC3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol
SMILESOCC#Cc1cncc(OC2CCCCCC2)c1
InChIInChI=1S/C15H19NO2/c17-9-5-6-13-10-15(12-16-11-13)18-14-7-3-1-2-4-8-14/h10-12,14,17H,1-4,7-9H2
InChIKeyUHSWKGGFAXFAOT-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.53
Rot. Bonds2

About 3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol

3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol (PubChem CID 82922577) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol
PubChem CID82922577
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol
SMILESOCC#Cc1cncc(OC2CCCCCC2)c1
InChIInChI=1S/C15H19NO2/c17-9-5-6-13-10-15(12-16-11-13)18-14-7-3-1-2-4-8-14/h10-12,14,17H,1-4,7-9H2
InChIKeyUHSWKGGFAXFAOT-UHFFFAOYSA-N
XLogP2.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol?
The IUPAC name of 3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol (CID 82922577) is 3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol is OCC#Cc1cncc(OC2CCCCCC2)c1.
What is the InChIKey of 3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol?
The InChIKey is UHSWKGGFAXFAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-9-5-6-13-10-15(12-16-11-13)18-14-7-3-1-2-4-8-14/h10-12,14,17H,1-4,7-9H2.
What are the key properties of 3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol?
3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol has a molecular weight of 245.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cycloheptyloxy-3-pyridinyl)prop-2-yn-1-ol is sourced from PubChem (CID 82922577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).