[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol

C11H19N3O — CID 66141765

IUPAC[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol
SMILESCn1cncc1CN1CCCCC1CO
InChIInChI=1S/C11H19N3O/c1-13-9-12-6-11(13)7-14-5-3-2-4-10(14)8-15/h6,9-10,15H,2-5,7-8H2,1H3
InChIKeyRGGUUQUQSHGYOX-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.77
Rot. Bonds3

About [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol

[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol (PubChem CID 66141765) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol
PubChem CID66141765
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol
SMILESCn1cncc1CN1CCCCC1CO
InChIInChI=1S/C11H19N3O/c1-13-9-12-6-11(13)7-14-5-3-2-4-10(14)8-15/h6,9-10,15H,2-5,7-8H2,1H3
InChIKeyRGGUUQUQSHGYOX-UHFFFAOYSA-N
XLogP0.77
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol (CID 66141765) is [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol is Cn1cncc1CN1CCCCC1CO.
What is the InChIKey of [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is RGGUUQUQSHGYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-9-12-6-11(13)7-14-5-3-2-4-10(14)8-15/h6,9-10,15H,2-5,7-8H2,1H3.
What are the key properties of [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol?
[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 209.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 66141765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).