2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C19H27NO — CID 115420107

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC(N2CCCC3CCCC32)C(O)c2ccccc21
InChIInChI=1S/C19H27NO/c1-13-12-18(19(21)16-9-3-2-8-15(13)16)20-11-5-7-14-6-4-10-17(14)20/h2-3,8-9,13-14,17-19,21H,4-7,10-12H2,1H3
InChIKeyYGRBRGLSWJJNQB-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.86
Rot. Bonds1

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115420107) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115420107
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC(N2CCCC3CCCC32)C(O)c2ccccc21
InChIInChI=1S/C19H27NO/c1-13-12-18(19(21)16-9-3-2-8-15(13)16)20-11-5-7-14-6-4-10-17(14)20/h2-3,8-9,13-14,17-19,21H,4-7,10-12H2,1H3
InChIKeyYGRBRGLSWJJNQB-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol with MolForge

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Related Compounds

4-methyl-2-(3-methylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419975
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65320050
2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420102
2-(3-methoxypiperidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102966127
2-(4-methoxypiperidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420002
2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420017
4-methyl-2-(2-methylpyrrolidin-1-yl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418920
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclooctan-1-ol
CID 65319710
2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420119
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 65320847
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64750705

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115420107) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CC1CC(N2CCCC3CCCC32)C(O)c2ccccc21.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is YGRBRGLSWJJNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-13-12-18(19(21)16-9-3-2-8-15(13)16)20-11-5-7-14-6-4-10-17(14)20/h2-3,8-9,13-14,17-19,21H,4-7,10-12H2,1H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 285.43 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115420107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).