2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol

C19H29NO — CID 63159070

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CCC3(CCCC3)CC2)cc1C
InChIInChI=1S/C19H29NO/c1-15-5-6-17(13-16(15)2)18(21)14-20-11-9-19(10-12-20)7-3-4-8-19/h5-6,13,18,21H,3-4,7-12,14H2,1-2H3
InChIKeyAAICCYJFDKDIRJ-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.99
Rot. Bonds3

About 2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol

2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol (PubChem CID 63159070) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol
PubChem CID63159070
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CCC3(CCCC3)CC2)cc1C
InChIInChI=1S/C19H29NO/c1-15-5-6-17(13-16(15)2)18(21)14-20-11-9-19(10-12-20)7-3-4-8-19/h5-6,13,18,21H,3-4,7-12,14H2,1-2H3
InChIKeyAAICCYJFDKDIRJ-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038375
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610555
2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol
CID 63159565
1-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 51501390
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95336027
1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 95138379
4-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 16673266
(4S)-1'-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51502094
tert-butyl 4-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 56771178
(4S)-6-chloro-1'-[(2R)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]-7-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 92558580
1-(3,4-dimethylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
CID 48632369
(1R)-1-(3,4-dimethylphenyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanol
CID 95607590

Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol (CID 63159070) is 2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol is Cc1ccc(C(O)CN2CCC3(CCCC3)CC2)cc1C.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol?
The InChIKey is AAICCYJFDKDIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15-5-6-17(13-16(15)2)18(21)14-20-11-9-19(10-12-20)7-3-4-8-19/h5-6,13,18,21H,3-4,7-12,14H2,1-2H3.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol?
2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol has a molecular weight of 287.45 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 63159070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).