[4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol

C9H17NO2 — CID 163207432

IUPAC[4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol
SMILESOCC1CC12CCCNC2CO
InChIInChI=1S/C9H17NO2/c11-5-7-4-9(7)2-1-3-10-8(9)6-12/h7-8,10-12H,1-6H2
InChIKeyMRZKRFJHQKDQGO-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.27
Rot. Bonds2

About [4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol

[4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol (PubChem CID 163207432) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol
PubChem CID163207432
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol
SMILESOCC1CC12CCCNC2CO
InChIInChI=1S/C9H17NO2/c11-5-7-4-9(7)2-1-3-10-8(9)6-12/h7-8,10-12H,1-6H2
InChIKeyMRZKRFJHQKDQGO-UHFFFAOYSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol (CID 163207432) is [4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol is OCC1CC12CCCNC2CO.
What is the InChIKey of [4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol?
The InChIKey is MRZKRFJHQKDQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-5-7-4-9(7)2-1-3-10-8(9)6-12/h7-8,10-12H,1-6H2.
What are the key properties of [4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol?
[4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol has a molecular weight of 171.24 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-5-azaspiro[2.5]octan-2-yl]methanol is sourced from PubChem (CID 163207432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).