2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol

C18H27NO3 — CID 82215798

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H27NO3/c1-14(2)15-3-5-16(6-4-15)17(20)13-19-9-7-18(8-10-19)21-11-12-22-18/h3-6,14,17,20H,7-13H2,1-2H3
InChIKeyVIWWIKAIOBSHAN-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.68
Rot. Bonds4

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 82215798) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID82215798
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H27NO3/c1-14(2)15-3-5-16(6-4-15)17(20)13-19-9-7-18(8-10-19)21-11-12-22-18/h3-6,14,17,20H,7-13H2,1-2H3
InChIKeyVIWWIKAIOBSHAN-UHFFFAOYSA-N
XLogP2.68
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol
CID 82217030
1-(2,3-dihydro-1H-inden-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82216666
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 60970237
1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82217044
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-naphthalen-2-ylpropan-1-ol
CID 59570721
2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 112698266
N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3789678
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-propan-2-yloxypropan-2-ol
CID 78969826
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one
CID 51095375
(1R,2S,3S)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-[4-(hydroxymethyl)phenyl]-2-phenylbutane-1,3-diol
CID 6681508
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide
CID 112994209

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol (CID 82215798) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is VIWWIKAIOBSHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(2)15-3-5-16(6-4-15)17(20)13-19-9-7-18(8-10-19)21-11-12-22-18/h3-6,14,17,20H,7-13H2,1-2H3.
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 305.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 82215798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).