2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol

C17H25NO2 — CID 82980642

IUPAC2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)N2CCCC3CCCC32)c(O)c1
InChIInChI=1S/C17H25NO2/c1-12(15-9-8-14(20-2)11-17(15)19)18-10-4-6-13-5-3-7-16(13)18/h8-9,11-13,16,19H,3-7,10H2,1-2H3
InChIKeyHISFNOSJCNGHLS-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.73
Rot. Bonds3

About 2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol

2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol (PubChem CID 82980642) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
PubChem CID82980642
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)N2CCCC3CCCC32)c(O)c1
InChIInChI=1S/C17H25NO2/c1-12(15-9-8-14(20-2)11-17(15)19)18-10-4-6-13-5-3-7-16(13)18/h8-9,11-13,16,19H,3-7,10H2,1-2H3
InChIKeyHISFNOSJCNGHLS-UHFFFAOYSA-N
XLogP3.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82956837
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol
CID 102969245
2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol
CID 82983162
5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 82979480
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093
2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol
CID 83007109
2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82979886
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82980447
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82981783
1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 65054114

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol (CID 82980642) is 2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol is COc1ccc(C(C)N2CCCC3CCCC32)c(O)c1.
What is the InChIKey of 2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol?
The InChIKey is HISFNOSJCNGHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(15-9-8-14(20-2)11-17(15)19)18-10-4-6-13-5-3-7-16(13)18/h8-9,11-13,16,19H,3-7,10H2,1-2H3.
What are the key properties of 2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol?
2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol has a molecular weight of 275.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol is sourced from PubChem (CID 82980642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).