(1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol

C24H33NO2 — CID 10109563

IUPAC(1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol
SMILESCO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCCC2)CN2CCC1CC2
InChIInChI=1S/C24H33NO2/c1-27-23(19-25-17-13-20(23)14-18-25)15-16-24(26,22-11-7-4-8-12-22)21-9-5-2-3-6-10-21/h4,7-8,11-12,20-21,26H,2-3,5-6,9-10,13-14,17-19H2,1H3/t23-,24-/m1/s1
InChIKeyOIVUQKJVYIDTLN-DNQXCXABSA-N
MW367.53 g/mol
LogP3.96
Rot. Bonds3

About (1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol

(1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol (PubChem CID 10109563) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol
PubChem CID10109563
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol
SMILESCO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCCC2)CN2CCC1CC2
InChIInChI=1S/C24H33NO2/c1-27-23(19-25-17-13-20(23)14-18-25)15-16-24(26,22-11-7-4-8-12-22)21-9-5-2-3-6-10-21/h4,7-8,11-12,20-21,26H,2-3,5-6,9-10,13-14,17-19H2,1H3/t23-,24-/m1/s1
InChIKeyOIVUQKJVYIDTLN-DNQXCXABSA-N
XLogP3.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-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 (1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol?
The IUPAC name of (1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol (CID 10109563) is (1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol?
The canonical SMILES for (1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol is CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCCC2)CN2CCC1CC2.
What is the InChIKey of (1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol?
The InChIKey is OIVUQKJVYIDTLN-DNQXCXABSA-N. The full InChI is InChI=1S/C24H33NO2/c1-27-23(19-25-17-13-20(23)14-18-25)15-16-24(26,22-11-7-4-8-12-22)21-9-5-2-3-6-10-21/h4,7-8,11-12,20-21,26H,2-3,5-6,9-10,13-14,17-19H2,1H3/t23-,24-/m1/s1.
What are the key properties of (1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol?
(1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol has a molecular weight of 367.53 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cycloheptyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol is sourced from PubChem (CID 10109563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).