2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol

C19H29NO — CID 63159565

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(O)CN2CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C19H29NO/c1-2-16-5-7-17(8-6-16)18(21)15-20-13-11-19(12-14-20)9-3-4-10-19/h5-8,18,21H,2-4,9-15H2,1H3
InChIKeyFLLLYJRPSXPBDQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.94
Rot. Bonds4

About 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol

2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol (PubChem CID 63159565) 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-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol
PubChem CID63159565
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(O)CN2CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C19H29NO/c1-2-16-5-7-17(8-6-16)18(21)15-20-13-11-19(12-14-20)9-3-4-10-19/h5-8,18,21H,2-4,9-15H2,1H3
InChIKeyFLLLYJRPSXPBDQ-UHFFFAOYSA-N
XLogP3.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol
CID 65282317
2-(8-azaspiro[4.5]decan-8-yl)-1-(3,4-dimethylphenyl)ethanol
CID 63159070
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol
CID 82217030
(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 95104663
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-(8-azaspiro[4.5]decan-8-yl)pentan-2-ol
CID 63158943
2-(4,4-diethylpiperidin-1-yl)-1-(4-ethylphenyl)ethanamine
CID 63467884
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
CID 11492169
2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
CID 111476786
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 82215798
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
CID 61088685

Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol (CID 63159565) is 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol is CCc1ccc(C(O)CN2CCC3(CCCC3)CC2)cc1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol?
The InChIKey is FLLLYJRPSXPBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-16-5-7-17(8-6-16)18(21)15-20-13-11-19(12-14-20)9-3-4-10-19/h5-8,18,21H,2-4,9-15H2,1H3.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol?
2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol has a molecular weight of 287.45 g/mol, XLogP of 3.94, 4 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-(4-ethylphenyl)ethanol is sourced from PubChem (CID 63159565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).