3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol

C14H23N3O — CID 128570271

IUPAC3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol
SMILESOC1CCC2(CC1)CCN(Cc1cnc[nH]1)CC2
InChIInChI=1S/C14H23N3O/c18-13-1-3-14(4-2-13)5-7-17(8-6-14)10-12-9-15-11-16-12/h9,11,13,18H,1-8,10H2,(H,15,16)
InChIKeyHFBGYTVVRUMDCF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.93
Rot. Bonds2

About 3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol

3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol (PubChem CID 128570271) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol.

Molecular Properties

Compound Name3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol
PubChem CID128570271
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol
SMILESOC1CCC2(CC1)CCN(Cc1cnc[nH]1)CC2
InChIInChI=1S/C14H23N3O/c18-13-1-3-14(4-2-13)5-7-17(8-6-14)10-12-9-15-11-16-12/h9,11,13,18H,1-8,10H2,(H,15,16)
InChIKeyHFBGYTVVRUMDCF-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

(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine
CID 31016417
1-[1-(1H-imidazol-4-ylmethyl)-4-piperidinyl]-3-methyl-1-butanol
CID 70723789
(4S)-1-(1H-imidazol-4-ylmethyl)-3,3,4-trimethyl-4-piperidinol
CID 72866596
[3-[(dimethylamino)methyl]-1-(1H-imidazol-4-ylmethyl)piperidin-3-yl]methanol
CID 77088374
3-[fluoro(1H-imidazol-5-yl)methyl]-3-azaspiro[5.5]undecane
CID 67009950
3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecane
CID 44185443
3-azaspiro[5.5]undecan-3-yl(1H-imidazol-5-yl)methanol
CID 67009953
(4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine
CID 70854543
4-(5-methyl-1H-imidazol-2-yl)cyclohexan-1-ol
CID 116881263
3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol
CID 118173692
3-(1H-imidazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-ol
CID 128550587
(2R)-2-(cyclohexylmethyl)-4-(1H-imidazol-5-ylmethyl)morpholine
CID 28358306

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol?
The IUPAC name of 3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol (CID 128570271) is 3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol.
What is the SMILES notation for 3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol?
The canonical SMILES for 3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol is OC1CCC2(CC1)CCN(Cc1cnc[nH]1)CC2.
What is the InChIKey of 3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol?
The InChIKey is HFBGYTVVRUMDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c18-13-1-3-14(4-2-13)5-7-17(8-6-14)10-12-9-15-11-16-12/h9,11,13,18H,1-8,10H2,(H,15,16).
What are the key properties of 3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol?
3-(1H-imidazol-5-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-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol is sourced from PubChem (CID 128570271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).