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

C11H19N3O — CID 66141579

IUPAC[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESCn1cncc1CN1CCC(CO)CC1
InChIInChI=1S/C11H19N3O/c1-13-9-12-6-11(13)7-14-4-2-10(8-15)3-5-14/h6,9-10,15H,2-5,7-8H2,1H3
InChIKeyOSQYQAIXYZBCKU-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.62
Rot. Bonds3

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

[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol (PubChem CID 66141579) 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-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol
PubChem CID66141579
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESCn1cncc1CN1CCC(CO)CC1
InChIInChI=1S/C11H19N3O/c1-13-9-12-6-11(13)7-14-4-2-10(8-15)3-5-14/h6,9-10,15H,2-5,7-8H2,1H3
InChIKeyOSQYQAIXYZBCKU-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 66117964
1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine
CID 131703561
1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 66118605
1-[(3-methylimidazol-4-yl)methyl]azetidin-3-ol
CID 66141587
[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol
CID 66154430
1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]piperidine-4-carboxylic acid
CID 77085342
4-[(3-methylimidazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621945
(2R)-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-2-[(3-methylimidazol-4-yl)methylamino]pentan-1-one
CID 124556785
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 66119014
3-[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 97102083
N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine
CID 124682664
(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
CID 103885858

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol (CID 66141579) is [1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol is Cn1cncc1CN1CCC(CO)CC1.
What is the InChIKey of [1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is OSQYQAIXYZBCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-9-12-6-11(13)7-14-4-2-10(8-15)3-5-14/h6,9-10,15H,2-5,7-8H2,1H3.
What are the key properties of [1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol?
[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 209.29 g/mol, XLogP of 0.62, 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-4-yl]methanol is sourced from PubChem (CID 66141579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).