[4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol

C13H23NO2 — CID 106299447

IUPAC[4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol
SMILESOCC1(N2CC3(CCCC3)C2)CCOCC1
InChIInChI=1S/C13H23NO2/c15-11-13(5-7-16-8-6-13)14-9-12(10-14)3-1-2-4-12/h15H,1-11H2
InChIKeyWJZLQTPJQFDYSC-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.40
Rot. Bonds2

About [4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol

[4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol (PubChem CID 106299447) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol
PubChem CID106299447
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol
SMILESOCC1(N2CC3(CCCC3)C2)CCOCC1
InChIInChI=1S/C13H23NO2/c15-11-13(5-7-16-8-6-13)14-9-12(10-14)3-1-2-4-12/h15H,1-11H2
InChIKeyWJZLQTPJQFDYSC-UHFFFAOYSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol?
The IUPAC name of [4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol (CID 106299447) is [4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol?
The canonical SMILES for [4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol is OCC1(N2CC3(CCCC3)C2)CCOCC1.
What is the InChIKey of [4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol?
The InChIKey is WJZLQTPJQFDYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-11-13(5-7-16-8-6-13)14-9-12(10-14)3-1-2-4-12/h15H,1-11H2.
What are the key properties of [4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol?
[4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol has a molecular weight of 225.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-azaspiro[3.4]octan-2-yl)oxan-4-yl]methanol is sourced from PubChem (CID 106299447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).