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

C25H37NO2 — CID 134905321

IUPAC2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1C(O)(Cc1cccc(CC3(O)CC4CCC3C4(C)C)n1)C2
InChIInChI=1S/C25H37NO2/c1-22(2)16-8-10-20(22)24(27,12-16)14-18-6-5-7-19(26-18)15-25(28)13-17-9-11-21(25)23(17,3)4/h5-7,16-17,20-21,27-28H,8-15H2,1-4H3
InChIKeyFHJCAEUJPXALCA-UHFFFAOYSA-N
MW383.58 g/mol
LogP4.54
Rot. Bonds4

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

2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 134905321) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID134905321
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC Name2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1C(O)(Cc1cccc(CC3(O)CC4CCC3C4(C)C)n1)C2
InChIInChI=1S/C25H37NO2/c1-22(2)16-8-10-20(22)24(27,12-16)14-18-6-5-7-19(26-18)15-25(28)13-17-9-11-21(25)23(17,3)4/h5-7,16-17,20-21,27-28H,8-15H2,1-4H3
InChIKeyFHJCAEUJPXALCA-UHFFFAOYSA-N
XLogP4.54
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1,3,3-Trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 135009825
(1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10983406
(1S,2S,4R)-1,3,3-trimethyl-2-[2-(6-phenyl-2-pyridinyl)phenyl]bicyclo[2.2.1]heptan-2-ol
CID 50940588
(1R,2S,4R)-2-[[6-[[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-2-pyridinyl]methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 101048174
7,7-Dimethyl-2-[(6-methyl-2-pyridinyl)methyl]bicyclo[2.2.1]heptan-2-ol
CID 134890149
1,3,3-Trimethyl-2-(6-methyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 135009722
(1S,4R)-1,3,3-trimethyl-2-[2-(6-phenyl-2-pyridinyl)phenyl]bicyclo[2.2.1]heptan-2-ol
CID 135018317
(1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 100993929
1,2,3-Trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 70289774
(1R,2R,3R,4R)-2-butyl-1,7,7-trimethyl-3-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 70291226
2-(6-Methyl-2-pyridinyl)-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethanol
CID 141268838
[(2R,4S)-9b-ethenyl-4-hydroxy-3,5a,9a-trimethyl-2-(6-methyl-2-pyridinyl)-2,3a,4,5,6,7,8,9-octahydro-1H-cyclopenta[a]naphthalen-3-yl]oxidanium
CID 169001077

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 134905321) is 2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1C(O)(Cc1cccc(CC3(O)CC4CCC3C4(C)C)n1)C2.
What is the InChIKey of 2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is FHJCAEUJPXALCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO2/c1-22(2)16-8-10-20(22)24(27,12-16)14-18-6-5-7-19(26-18)15-25(28)13-17-9-11-21(25)23(17,3)4/h5-7,16-17,20-21,27-28H,8-15H2,1-4H3.
What are the key properties of 2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 383.58 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-hydroxy-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-pyridinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 134905321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).