1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol

C17H25NO — CID 104549307

IUPAC1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1N1CC2(CCCCCC2)C1
InChIInChI=1S/C17H25NO/c1-14(19)15-8-4-5-9-16(15)18-12-17(13-18)10-6-2-3-7-11-17/h4-5,8-9,14,19H,2-3,6-7,10-13H2,1H3
InChIKeyUCLYMXYDBSFOAO-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.90
Rot. Bonds2

About 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol

1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol (PubChem CID 104549307) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol
PubChem CID104549307
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1N1CC2(CCCCCC2)C1
InChIInChI=1S/C17H25NO/c1-14(19)15-8-4-5-9-16(15)18-12-17(13-18)10-6-2-3-7-11-17/h4-5,8-9,14,19H,2-3,6-7,10-13H2,1H3
InChIKeyUCLYMXYDBSFOAO-UHFFFAOYSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine
CID 79677107
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2-(2-azaspiro[3.6]decan-2-yl)aniline
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1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
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(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
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(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939148
1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanol
CID 63610270
(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
CID 78941147
(1R)-1-(2-morpholin-4-ylphenyl)ethanol
CID 78939110
(1R)-1-(2-thiomorpholin-4-ylphenyl)ethanol
CID 78939439
(1R)-1-[2-(2,2-dimethylmorpholin-4-yl)phenyl]ethanol
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(1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol
CID 63370963

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol?
The IUPAC name of 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol (CID 104549307) is 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol is CC(O)c1ccccc1N1CC2(CCCCCC2)C1.
What is the InChIKey of 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol?
The InChIKey is UCLYMXYDBSFOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(19)15-8-4-5-9-16(15)18-12-17(13-18)10-6-2-3-7-11-17/h4-5,8-9,14,19H,2-3,6-7,10-13H2,1H3.
What are the key properties of 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol?
1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol has a molecular weight of 259.39 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanol is sourced from PubChem (CID 104549307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).