[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol

C11H19N3O — CID 18738687

IUPAC[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol
SMILESCN1CCC(Cn2cncc2CO)CC1
InChIInChI=1S/C11H19N3O/c1-13-4-2-10(3-5-13)7-14-9-12-6-11(14)8-15/h6,9-10,15H,2-5,7-8H2,1H3
InChIKeyKCXWQVPPUKUBQF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.72
Rot. Bonds3

About [3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol

[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol (PubChem CID 18738687) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol
PubChem CID18738687
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol
SMILESCN1CCC(Cn2cncc2CO)CC1
InChIInChI=1S/C11H19N3O/c1-13-4-2-10(3-5-13)7-14-9-12-6-11(14)8-15/h6,9-10,15H,2-5,7-8H2,1H3
InChIKeyKCXWQVPPUKUBQF-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol (CID 18738687) is [3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol is CN1CCC(Cn2cncc2CO)CC1.
What is the InChIKey of [3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol?
The InChIKey is KCXWQVPPUKUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-4-2-10(3-5-13)7-14-9-12-6-11(14)8-15/h6,9-10,15H,2-5,7-8H2,1H3.
What are the key properties of [3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol?
[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol has a molecular weight of 209.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 18738687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).