2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol

C17H23NO — CID 10777551

IUPAC2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol
SMILESCc1cccc(CC2(O)C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C17H23NO/c1-11-3-2-4-16(18-11)10-17(19)14-6-12-5-13(8-14)9-15(17)7-12/h2-4,12-15,19H,5-10H2,1H3
InChIKeyCYUXOOKOPCCECK-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.12
Rot. Bonds2

About 2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol

2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol (PubChem CID 10777551) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol
PubChem CID10777551
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol
SMILESCc1cccc(CC2(O)C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C17H23NO/c1-11-3-2-4-16(18-11)10-17(19)14-6-12-5-13(8-14)9-15(17)7-12/h2-4,12-15,19H,5-10H2,1H3
InChIKeyCYUXOOKOPCCECK-UHFFFAOYSA-N
XLogP3.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-1-((1S,2S,3R,4aS,8aR)-1-(2-(6-ethylpyridin-2-yl)vinyl)-3-(hydroxymethyl)-decahydronaphthalen-2-yl)ethanol
CID 44416717
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
alpha,alpha-Dicyclohexyl-2-pyridineethanol hydrochloride
CID 134823876
1-[6-(2-Hydroxy-2-methylpropyl)-2-pyridinyl]-2-methylpropan-2-ol
CID 11204145
1,1-Dicyclohexyl-2-(pyridin-2-yl)ethan-1-ol
CID 20348863
1,1-Difluoro-2-methyl-1-(6-propan-2-yl-2-pyridinyl)propan-2-ol
CID 170145844
2-Methyl-1,3-bis(6-methyl-2-pyridinyl)propan-2-ol
CID 318134
2-(2,5-Dimethyl-5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 3280775
2-Pyridin-2-yladamantan-2-ol
CID 11218455
2-[[6-[(2-Hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol
CID 11373167
2,6-Bis(2-hydroxy-2,2-diphenylethyl)pyridine
CID 11454237

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol (CID 10777551) is 2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol is Cc1cccc(CC2(O)C3CC4CC(C3)CC2C4)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol?
The InChIKey is CYUXOOKOPCCECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-11-3-2-4-16(18-11)10-17(19)14-6-12-5-13(8-14)9-15(17)7-12/h2-4,12-15,19H,5-10H2,1H3.
What are the key properties of 2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol?
2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol has a molecular weight of 257.38 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 2-[(6-methyl-2-pyridinyl)methyl]adamantan-2-ol is sourced from PubChem (CID 10777551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).