1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol

C8H15NO3 — CID 12954118

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol
SMILESOCC1COC2(CCNCC2)O1
InChIInChI=1S/C8H15NO3/c10-5-7-6-11-8(12-7)1-3-9-4-2-8/h7,9-10H,1-6H2
InChIKeyNRURZZCTEVOWQT-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.53
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol

1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol (PubChem CID 12954118) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol
PubChem CID12954118
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol
SMILESOCC1COC2(CCNCC2)O1
InChIInChI=1S/C8H15NO3/c10-5-7-6-11-8(12-7)1-3-9-4-2-8/h7,9-10H,1-6H2
InChIKeyNRURZZCTEVOWQT-UHFFFAOYSA-N
XLogP-0.53
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol (CID 12954118) is 1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol is OCC1COC2(CCNCC2)O1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol?
The InChIKey is NRURZZCTEVOWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-5-7-6-11-8(12-7)1-3-9-4-2-8/h7,9-10H,1-6H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol?
1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol has a molecular weight of 173.21 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethanol is sourced from PubChem (CID 12954118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).