1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol

C12H21N3O — CID 102959689

IUPAC1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol
SMILESCCn1cncc1CN1CCC(C)C(O)C1
InChIInChI=1S/C12H21N3O/c1-3-15-9-13-6-11(15)7-14-5-4-10(2)12(16)8-14/h6,9-10,12,16H,3-5,7-8H2,1-2H3
InChIKeyBJYVRNKAVIYAGL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.11
Rot. Bonds3

About 1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol

1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol (PubChem CID 102959689) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol
PubChem CID102959689
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol
SMILESCCn1cncc1CN1CCC(C)C(O)C1
InChIInChI=1S/C12H21N3O/c1-3-15-9-13-6-11(15)7-14-5-4-10(2)12(16)8-14/h6,9-10,12,16H,3-5,7-8H2,1-2H3
InChIKeyBJYVRNKAVIYAGL-UHFFFAOYSA-N
XLogP1.11
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol (CID 102959689) is 1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol is CCn1cncc1CN1CCC(C)C(O)C1.
What is the InChIKey of 1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol?
The InChIKey is BJYVRNKAVIYAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15-9-13-6-11(15)7-14-5-4-10(2)12(16)8-14/h6,9-10,12,16H,3-5,7-8H2,1-2H3.
What are the key properties of 1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol?
1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol has a molecular weight of 223.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102959689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).