8-azaspiro[4.5]decane-1,4-diol

C9H17NO2 — CID 141113779

IUPAC8-azaspiro[4.5]decane-1,4-diol
SMILESOC1CCC(O)C12CCNCC2
InChIInChI=1S/C9H17NO2/c11-7-1-2-8(12)9(7)3-5-10-6-4-9/h7-8,10-12H,1-6H2
InChIKeyCTDLJRCTAPRJBM-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.13
Rot. Bonds

About 8-azaspiro[4.5]decane-1,4-diol

8-azaspiro[4.5]decane-1,4-diol (PubChem CID 141113779) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 8-azaspiro[4.5]decane-1,4-diol.

Molecular Properties

Compound Name8-azaspiro[4.5]decane-1,4-diol
PubChem CID141113779
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name8-azaspiro[4.5]decane-1,4-diol
SMILESOC1CCC(O)C12CCNCC2
InChIInChI=1S/C9H17NO2/c11-7-1-2-8(12)9(7)3-5-10-6-4-9/h7-8,10-12H,1-6H2
InChIKeyCTDLJRCTAPRJBM-UHFFFAOYSA-N
XLogP-0.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 121209162
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
(1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 95396425
2-azaspiro[3.5]nonan-5-ol
CID 167738706
4-cyclohexylpiperidin-4-ol
CID 44598718
2,6-diazaspiro[4.5]decan-10-ol
CID 115012188
1-oxa-8-azaspiro[4.5]decan-2-ol
CID 150619629
6-azaspiro[3.5]nonan-9-ol
CID 82418041
4-tert-butylazepan-4-ol
CID 55296564

Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decane-1,4-diol?
The IUPAC name of 8-azaspiro[4.5]decane-1,4-diol (CID 141113779) is 8-azaspiro[4.5]decane-1,4-diol.
What is the SMILES notation for 8-azaspiro[4.5]decane-1,4-diol?
The canonical SMILES for 8-azaspiro[4.5]decane-1,4-diol is OC1CCC(O)C12CCNCC2.
What is the InChIKey of 8-azaspiro[4.5]decane-1,4-diol?
The InChIKey is CTDLJRCTAPRJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-7-1-2-8(12)9(7)3-5-10-6-4-9/h7-8,10-12H,1-6H2.
What are the key properties of 8-azaspiro[4.5]decane-1,4-diol?
8-azaspiro[4.5]decane-1,4-diol has a molecular weight of 171.24 g/mol, XLogP of -0.13, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decane-1,4-diol is sourced from PubChem (CID 141113779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).