2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol

C13H19NO — CID 79863167

IUPAC2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol
SMILESCC1(C)CCCC1(O)Cc1ccncc1
InChIInChI=1S/C13H19NO/c1-12(2)6-3-7-13(12,15)10-11-4-8-14-9-5-11/h4-5,8-9,15H,3,6-7,10H2,1-2H3
InChIKeyLRFFIGBZUSPIDE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.57
Rot. Bonds2

About 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol

2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol (PubChem CID 79863167) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol
PubChem CID79863167
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol
SMILESCC1(C)CCCC1(O)Cc1ccncc1
InChIInChI=1S/C13H19NO/c1-12(2)6-3-7-13(12,15)10-11-4-8-14-9-5-11/h4-5,8-9,15H,3,6-7,10H2,1-2H3
InChIKeyLRFFIGBZUSPIDE-UHFFFAOYSA-N
XLogP2.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-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 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol (CID 79863167) is 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol is CC1(C)CCCC1(O)Cc1ccncc1.
What is the InChIKey of 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol?
The InChIKey is LRFFIGBZUSPIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(2)6-3-7-13(12,15)10-11-4-8-14-9-5-11/h4-5,8-9,15H,3,6-7,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol?
2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(pyridin-4-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 79863167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).