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

C10H17N3O — CID 43817896

IUPAC1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol
SMILESCn1cncc1CN1CCCC(O)C1
InChIInChI=1S/C10H17N3O/c1-12-8-11-5-9(12)6-13-4-2-3-10(14)7-13/h5,8,10,14H,2-4,6-7H2,1H3
InChIKeyLVPYOHCXMNIYRJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.38
Rot. Bonds2

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

1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol (PubChem CID 43817896) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol
PubChem CID43817896
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol
SMILESCn1cncc1CN1CCCC(O)C1
InChIInChI=1S/C10H17N3O/c1-12-8-11-5-9(12)6-13-4-2-3-10(14)7-13/h5,8,10,14H,2-4,6-7H2,1H3
InChIKeyLVPYOHCXMNIYRJ-UHFFFAOYSA-N
XLogP0.38
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol (CID 43817896) is 1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol is Cn1cncc1CN1CCCC(O)C1.
What is the InChIKey of 1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is LVPYOHCXMNIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-8-11-5-9(12)6-13-4-2-3-10(14)7-13/h5,8,10,14H,2-4,6-7H2,1H3.
What are the key properties of 1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol?
1-[(3-methylimidazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 195.27 g/mol, XLogP of 0.38, 2 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-3-ol is sourced from PubChem (CID 43817896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).