1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol

C13H23N3O — CID 79744305

IUPAC1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
SMILESCCN1CCC(O)(Cc2nccn2CC)CC1
InChIInChI=1S/C13H23N3O/c1-3-15-8-5-13(17,6-9-15)11-12-14-7-10-16(12)4-2/h7,10,17H,3-6,8-9,11H2,1-2H3
InChIKeyYOXYBBQWASPJDC-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.29
Rot. Bonds4

About 1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol

1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol (PubChem CID 79744305) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
PubChem CID79744305
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
SMILESCCN1CCC(O)(Cc2nccn2CC)CC1
InChIInChI=1S/C13H23N3O/c1-3-15-8-5-13(17,6-9-15)11-12-14-7-10-16(12)4-2/h7,10,17H,3-6,8-9,11H2,1-2H3
InChIKeyYOXYBBQWASPJDC-UHFFFAOYSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
1-ethyl-4-[(1-methylimidazol-2-yl)methyl]azepan-4-ol
CID 79743883
1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79744950
3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
CID 79744249
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol
CID 79744060
1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429783
1-ethyl-4-(1-propylimidazol-2-yl)piperidin-4-ol
CID 63975629
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147792
1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 79743744
[1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91791648

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol (CID 79744305) is 1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol is CCN1CCC(O)(Cc2nccn2CC)CC1.
What is the InChIKey of 1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is YOXYBBQWASPJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-15-8-5-13(17,6-9-15)11-12-14-7-10-16(12)4-2/h7,10,17H,3-6,8-9,11H2,1-2H3.
What are the key properties of 1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol?
1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 237.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 79744305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).