3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol

C14H23N3O — CID 67009953

IUPAC3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol
SMILESOC(c1cnc[nH]1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C14H23N3O/c18-13(12-10-15-11-16-12)17-8-6-14(7-9-17)4-2-1-3-5-14/h10-11,13,18H,1-9H2,(H,15,16)
InChIKeyFFZSULKFPAFZFS-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.45
Rot. Bonds2

About 3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol

3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol (PubChem CID 67009953) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol
PubChem CID67009953
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol
SMILESOC(c1cnc[nH]1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C14H23N3O/c18-13(12-10-15-11-16-12)17-8-6-14(7-9-17)4-2-1-3-5-14/h10-11,13,18H,1-9H2,(H,15,16)
InChIKeyFFZSULKFPAFZFS-UHFFFAOYSA-N
XLogP2.45
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol?
The IUPAC name of 3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol (CID 67009953) is 3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol is OC(c1cnc[nH]1)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol?
The InChIKey is FFZSULKFPAFZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c18-13(12-10-15-11-16-12)17-8-6-14(7-9-17)4-2-1-3-5-14/h10-11,13,18H,1-9H2,(H,15,16).
What are the key properties of 3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol?
3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol has a molecular weight of 249.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol is sourced from PubChem (CID 67009953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).