4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine

C10H17N3 — CID 11313837

IUPAC4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine
SMILESCN1CCC(Cc2cnc[nH]2)CC1
InChIInChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyKIAVPENCSGKVQP-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.29
Rot. Bonds2

About 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine

4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine (PubChem CID 11313837) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine
PubChem CID11313837
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine
SMILESCN1CCC(Cc2cnc[nH]2)CC1
InChIInChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyKIAVPENCSGKVQP-UHFFFAOYSA-N
XLogP1.29
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine 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 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine (CID 11313837) is 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine is CN1CCC(Cc2cnc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine?
The InChIKey is KIAVPENCSGKVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine?
4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine has a molecular weight of 179.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine is sourced from PubChem (CID 11313837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).