7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol

C16H23NO — CID 134890149

IUPAC7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol
SMILESCc1cccc(CC2(O)CC3CCC2C3(C)C)n1
InChIInChI=1S/C16H23NO/c1-11-5-4-6-13(17-11)10-16(18)9-12-7-8-14(16)15(12,2)3/h4-6,12,14,18H,7-10H2,1-3H3
InChIKeyIVMBIFAWPSSZGI-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.12
Rot. Bonds2

About 7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol

7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol (PubChem CID 134890149) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol
PubChem CID134890149
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol
SMILESCc1cccc(CC2(O)CC3CCC2C3(C)C)n1
InChIInChI=1S/C16H23NO/c1-11-5-4-6-13(17-11)10-16(18)9-12-7-8-14(16)15(12,2)3/h4-6,12,14,18H,7-10H2,1-3H3
InChIKeyIVMBIFAWPSSZGI-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]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

Related Compounds

(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-(pyridin-2-ylmethyl)-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
CID 66574334
rel-(5R,8S)-5,6,7,8-Tetrahydro-alpha,alpha,2,5-tetramethyl-8-quinolinemethanol
CID 442529
2-[(5R,8R)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propan-2-ol
CID 1274478
1,7,7-Trimethyl-2-(2-pyridyl)bicyclo(2.2.1)heptan-2-ol
CID 15553738
1,3,3-Trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 135009825
(1R,2R,4S)-1,3,3-Trimethyl-2-(2-pyridyl)bicyclo[2.2.1]heptane-2-ol
CID 11734622
2-[(4,6-Dimethylpyridin-2-yl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
CID 10193621
2-(2,5-Dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 3280775
2-[(6-Methyl-2-pyridinyl)methyl]adamantan-2-ol
CID 10777551
(1R,2R,4S)-2-(6-bromo-2-pyridinyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 23659151
(1S,2S,4R)-1,3,3-trimethyl-2-[2-(6-phenyl-2-pyridinyl)phenyl]bicyclo[2.2.1]heptan-2-ol
CID 50940588
1,3,3-Trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol
CID 73079214

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol (CID 134890149) is 7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol is Cc1cccc(CC2(O)CC3CCC2C3(C)C)n1.
What is the InChIKey of 7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol?
The InChIKey is IVMBIFAWPSSZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-5-4-6-13(17-11)10-16(18)9-12-7-8-14(16)15(12,2)3/h4-6,12,14,18H,7-10H2,1-3H3.
What are the key properties of 7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol?
7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 134890149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).