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

C18H27NO3 — CID 82217030

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H27NO3/c1-2-3-15-4-6-16(7-5-15)17(20)14-19-10-8-18(9-11-19)21-12-13-22-18/h4-7,17,20H,2-3,8-14H2,1H3
InChIKeyFWNDELGCZORWRD-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.51
Rot. Bonds5

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

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol (PubChem CID 82217030) 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-propylphenyl)ethanol.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol
PubChem CID82217030
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)CN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H27NO3/c1-2-3-15-4-6-16(7-5-15)17(20)14-19-10-8-18(9-11-19)21-12-13-22-18/h4-7,17,20H,2-3,8-14H2,1H3
InChIKeyFWNDELGCZORWRD-UHFFFAOYSA-N
XLogP2.51
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 82215798
1-(2,3-dihydro-1H-inden-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82216666
2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol
CID 63159565
8-(2-chloro-4-propylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 118905139
1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
CID 114539064
2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol
CID 65282317
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol
CID 115561354
2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol
CID 63635565
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
(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
2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol
CID 102966119
1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82217044

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol (CID 82217030) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)CN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol?
The InChIKey is FWNDELGCZORWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-2-3-15-4-6-16(7-5-15)17(20)14-19-10-8-18(9-11-19)21-12-13-22-18/h4-7,17,20H,2-3,8-14H2,1H3.
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol has a molecular weight of 305.42 g/mol, XLogP of 2.51, 5 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-propylphenyl)ethanol is sourced from PubChem (CID 82217030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).