2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol

C18H28N2O2 — CID 141294748

IUPAC2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol
SMILESOCCc1ccc(CCN2CCC3(CC2)CNCCO3)cc1
InChIInChI=1S/C18H28N2O2/c21-13-6-17-3-1-16(2-4-17)5-10-20-11-7-18(8-12-20)15-19-9-14-22-18/h1-4,19,21H,5-15H2
InChIKeyNWIWVEUFTJSFLG-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.22
Rot. Bonds5

About 2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol

2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol (PubChem CID 141294748) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol
PubChem CID141294748
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol
SMILESOCCc1ccc(CCN2CCC3(CC2)CNCCO3)cc1
InChIInChI=1S/C18H28N2O2/c21-13-6-17-3-1-16(2-4-17)5-10-20-11-7-18(8-12-20)15-19-9-14-22-18/h1-4,19,21H,5-15H2
InChIKeyNWIWVEUFTJSFLG-UHFFFAOYSA-N
XLogP1.22
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol?
The IUPAC name of 2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol (CID 141294748) is 2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol is OCCc1ccc(CCN2CCC3(CC2)CNCCO3)cc1.
What is the InChIKey of 2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol?
The InChIKey is NWIWVEUFTJSFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-13-6-17-3-1-16(2-4-17)5-10-20-11-7-18(8-12-20)15-19-9-14-22-18/h1-4,19,21H,5-15H2.
What are the key properties of 2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol?
2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol has a molecular weight of 304.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethanol is sourced from PubChem (CID 141294748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).