1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol

C16H23NO — CID 70289774

IUPAC1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(Cc1ccccn1)C2(C)O
InChIInChI=1S/C16H23NO/c1-14-8-7-12(10-14)15(2,16(14,3)18)11-13-6-4-5-9-17-13/h4-6,9,12,18H,7-8,10-11H2,1-3H3
InChIKeyUPTWXBDATBCCFQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.20
Rot. Bonds2

About 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol

1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 70289774) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID70289774
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(Cc1ccccn1)C2(C)O
InChIInChI=1S/C16H23NO/c1-14-8-7-12(10-14)15(2,16(14,3)18)11-13-6-4-5-9-17-13/h4-6,9,12,18H,7-8,10-11H2,1-3H3
InChIKeyUPTWXBDATBCCFQ-UHFFFAOYSA-N
XLogP3.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-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 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol (CID 70289774) is 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(C)(Cc1ccccn1)C2(C)O.
What is the InChIKey of 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is UPTWXBDATBCCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-14-8-7-12(10-14)15(2,16(14,3)18)11-13-6-4-5-9-17-13/h4-6,9,12,18H,7-8,10-11H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol?
1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 70289774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).