2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol

C23H37NO2 — CID 66577858

IUPAC2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol
SMILESCC(C)OCC1(O)CCC2(CCN(c3ccc(C(C)(C)C)cc3)C2)CC1
InChIInChI=1S/C23H37NO2/c1-18(2)26-17-23(25)12-10-22(11-13-23)14-15-24(16-22)20-8-6-19(7-9-20)21(3,4)5/h6-9,18,25H,10-17H2,1-5H3
InChIKeyULYSMAASWKKMJI-UHFFFAOYSA-N
MW359.55 g/mol
LogP4.91
Rot. Bonds4

About 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol

2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol (PubChem CID 66577858) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol
PubChem CID66577858
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol
SMILESCC(C)OCC1(O)CCC2(CCN(c3ccc(C(C)(C)C)cc3)C2)CC1
InChIInChI=1S/C23H37NO2/c1-18(2)26-17-23(25)12-10-22(11-13-23)14-15-24(16-22)20-8-6-19(7-9-20)21(3,4)5/h6-9,18,25H,10-17H2,1-5H3
InChIKeyULYSMAASWKKMJI-UHFFFAOYSA-N
XLogP4.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 168755787
8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol
CID 66577720
2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane
CID 96668742
2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol
CID 66577866
2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decane
CID 141308717
5-[4-(bromomethyl)phenyl]-5-azaspiro[2.4]heptane
CID 131123654
2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane
CID 82483749
1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane
CID 145175028
8-cyclopropylsulfonyl-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decane
CID 123500008
8-(2,2-dimethylpropylsulfonyl)-2-[4-(3,3,3-trifluoropropoxy)phenyl]-2,8-diazaspiro[4.5]decane
CID 123502158
(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol
CID 164739379
2-[4-(3,3,3-trifluoropropoxy)phenyl]-2-azaspiro[4.5]decane
CID 141308722

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol?
The IUPAC name of 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol (CID 66577858) is 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol is CC(C)OCC1(O)CCC2(CCN(c3ccc(C(C)(C)C)cc3)C2)CC1.
What is the InChIKey of 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol?
The InChIKey is ULYSMAASWKKMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO2/c1-18(2)26-17-23(25)12-10-22(11-13-23)14-15-24(16-22)20-8-6-19(7-9-20)21(3,4)5/h6-9,18,25H,10-17H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol?
2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol has a molecular weight of 359.55 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-8-(propan-2-yloxymethyl)-2-azaspiro[4.5]decan-8-ol is sourced from PubChem (CID 66577858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).