3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol

C14H23N3O — CID 128550587

IUPAC3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol
SMILESOC1CCC2(CC1)CCN(Cc1ncc[nH]1)CC2
InChIInChI=1S/C14H23N3O/c18-12-1-3-14(4-2-12)5-9-17(10-6-14)11-13-15-7-8-16-13/h7-8,12,18H,1-6,9-11H2,(H,15,16)
InChIKeyFRQSIMJAKYKMGX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.93
Rot. Bonds2

About 3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol

3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol (PubChem CID 128550587) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol
PubChem CID128550587
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol
SMILESOC1CCC2(CC1)CCN(Cc1ncc[nH]1)CC2
InChIInChI=1S/C14H23N3O/c18-12-1-3-14(4-2-12)5-9-17(10-6-14)11-13-15-7-8-16-13/h7-8,12,18H,1-6,9-11H2,(H,15,16)
InChIKeyFRQSIMJAKYKMGX-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 164635126
3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]tridecan-2-ol
CID 91217998
2,2,2-trifluoro-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]ethanol
CID 112332382
[1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol
CID 136563831
[1-(1H-imidazol-2-ylmethyl)-3-isobutylpiperidin-3-yl]methanol
CID 50957180
3-cyclohexyl-1-(1H-imidazol-2-yl)propan-1-ol
CID 17913114
4-(1H-imidazol-2-yl)cyclohexan-1-ol
CID 18695351
2-Imidazolylcyclohexanol
CID 19908895
2-(1H-imidazol-2-yl)cycloheptan-1-ol
CID 19908898
3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecane
CID 44185444
9-(2-(1H-Imidazol-1-yl)ethoxy)-3-azaspiro[5.5]undecane
CID 59505482
1-(1H-imidazol-2-yl)heptan-2-ol
CID 61081438

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol?
The IUPAC name of 3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol (CID 128550587) is 3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol.
What is the SMILES notation for 3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol?
The canonical SMILES for 3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol is OC1CCC2(CC1)CCN(Cc1ncc[nH]1)CC2.
What is the InChIKey of 3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol?
The InChIKey is FRQSIMJAKYKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c18-12-1-3-14(4-2-12)5-9-17(10-6-14)11-13-15-7-8-16-13/h7-8,12,18H,1-6,9-11H2,(H,15,16).
What are the key properties of 3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol?
3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol has a molecular weight of 249.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol is sourced from PubChem (CID 128550587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).