2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol

C12H23NO2 — CID 121202855

IUPAC2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol
SMILESOCCN1CC(CO)C2(CCCCC2)C1
InChIInChI=1S/C12H23NO2/c14-7-6-13-8-11(9-15)12(10-13)4-2-1-3-5-12/h11,14-15H,1-10H2
InChIKeySQVPJEOAGCIACC-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.85
Rot. Bonds3

About 2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol

2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol (PubChem CID 121202855) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol
PubChem CID121202855
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol
SMILESOCCN1CC(CO)C2(CCCCC2)C1
InChIInChI=1S/C12H23NO2/c14-7-6-13-8-11(9-15)12(10-13)4-2-1-3-5-12/h11,14-15H,1-10H2
InChIKeySQVPJEOAGCIACC-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol?
The IUPAC name of 2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol (CID 121202855) is 2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol is OCCN1CC(CO)C2(CCCCC2)C1.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol?
The InChIKey is SQVPJEOAGCIACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-7-6-13-8-11(9-15)12(10-13)4-2-1-3-5-12/h11,14-15H,1-10H2.
What are the key properties of 2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol?
2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol has a molecular weight of 213.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanol is sourced from PubChem (CID 121202855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).