2-(pyridin-2-ylmethyl)adamantan-2-ol

C16H21NO — CID 10514395

IUPAC2-(pyridin-2-ylmethyl)adamantan-2-ol
SMILESOC1(Cc2ccccn2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H21NO/c18-16(10-15-3-1-2-4-17-15)13-6-11-5-12(8-13)9-14(16)7-11/h1-4,11-14,18H,5-10H2
InChIKeyOKOUKQOVVRSTBZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.81
Rot. Bonds2

About 2-(pyridin-2-ylmethyl)adamantan-2-ol

2-(pyridin-2-ylmethyl)adamantan-2-ol (PubChem CID 10514395) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)adamantan-2-ol.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)adamantan-2-ol
PubChem CID10514395
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(pyridin-2-ylmethyl)adamantan-2-ol
SMILESOC1(Cc2ccccn2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H21NO/c18-16(10-15-3-1-2-4-17-15)13-6-11-5-12(8-13)9-14(16)7-11/h1-4,11-14,18H,5-10H2
InChIKeyOKOUKQOVVRSTBZ-UHFFFAOYSA-N
XLogP2.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
Abiraterone Impurity 89
CID 10247264
(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
2-Methyl-1,3-di(2-pyridinyl)-2-propanol
CID 238451
(3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-(pyridin-2-ylmethyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
CID 16106502
(3S,8R,9S,10S,13S)-3,10,13-trimethyl-17-pyridin-3-yl-1,2,4,5,6,7,8,9,11,12-decahydrocyclopenta[a]phenanthren-3-ol
CID 68087350
(3S,8R,9S,10S,13S,14S)-3,10,13-trimethyl-17-pyridin-3-yl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-ol
CID 68087469
US20230340011, Example 369.
CID 169312912
4-Piperidinol, 1-butyl-4-(2-pyridyl)methyl-, dihydrochloride
CID 3048600
1,2-Diphenyl-1-(pyridin-2-yl)pentan-2-ol
CID 236209
3-Methyl-2,4-di(pyridin-2-yl)pentan-3-ol
CID 238369
1-(Pyridin-2-yl)-2-((pyridin-2-yl)methyl)butan-2-ol
CID 238459

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)adamantan-2-ol?
The IUPAC name of 2-(pyridin-2-ylmethyl)adamantan-2-ol (CID 10514395) is 2-(pyridin-2-ylmethyl)adamantan-2-ol.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)adamantan-2-ol?
The canonical SMILES for 2-(pyridin-2-ylmethyl)adamantan-2-ol is OC1(Cc2ccccn2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(pyridin-2-ylmethyl)adamantan-2-ol?
The InChIKey is OKOUKQOVVRSTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16(10-15-3-1-2-4-17-15)13-6-11-5-12(8-13)9-14(16)7-11/h1-4,11-14,18H,5-10H2.
What are the key properties of 2-(pyridin-2-ylmethyl)adamantan-2-ol?
2-(pyridin-2-ylmethyl)adamantan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)adamantan-2-ol is sourced from PubChem (CID 10514395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).