3-(imidazol-1-ylmethyl)-3-methylpiperidine

C10H17N3 — CID 18713016

IUPAC3-(imidazol-1-ylmethyl)-3-methylpiperidine
SMILESCC1(Cn2ccnc2)CCCNC1
InChIInChI=1S/C10H17N3/c1-10(3-2-4-11-7-10)8-13-6-5-12-9-13/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyKAZIZCIOOBMOEX-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.27
Rot. Bonds2

About 3-(imidazol-1-ylmethyl)-3-methylpiperidine

3-(imidazol-1-ylmethyl)-3-methylpiperidine (PubChem CID 18713016) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-3-methylpiperidine.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-3-methylpiperidine
PubChem CID18713016
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-(imidazol-1-ylmethyl)-3-methylpiperidine
SMILESCC1(Cn2ccnc2)CCCNC1
InChIInChI=1S/C10H17N3/c1-10(3-2-4-11-7-10)8-13-6-5-12-9-13/h5-6,9,11H,2-4,7-8H2,1H3
InChIKeyKAZIZCIOOBMOEX-UHFFFAOYSA-N
XLogP1.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(imidazol-1-ylmethyl)-3-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 3-(imidazol-1-ylmethyl)-3-methylpiperidine?
The IUPAC name of 3-(imidazol-1-ylmethyl)-3-methylpiperidine (CID 18713016) is 3-(imidazol-1-ylmethyl)-3-methylpiperidine.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-3-methylpiperidine?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-3-methylpiperidine is CC1(Cn2ccnc2)CCCNC1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-3-methylpiperidine?
The InChIKey is KAZIZCIOOBMOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(3-2-4-11-7-10)8-13-6-5-12-9-13/h5-6,9,11H,2-4,7-8H2,1H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-3-methylpiperidine?
3-(imidazol-1-ylmethyl)-3-methylpiperidine has a molecular weight of 179.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-3-methylpiperidine is sourced from PubChem (CID 18713016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).