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

C10H15N3 — CID 11336692

IUPAC4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine
SMILESCN1CCC(=Cc2cnc[nH]2)CC1
InChIInChI=1S/C10H15N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyQLBRKVWXZLTJGJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.52
Rot. Bonds1

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

4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine (PubChem CID 11336692) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine
PubChem CID11336692
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine
SMILESCN1CCC(=Cc2cnc[nH]2)CC1
InChIInChI=1S/C10H15N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyQLBRKVWXZLTJGJ-UHFFFAOYSA-N
XLogP1.52
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine (CID 11336692) is 4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine is CN1CCC(=Cc2cnc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine?
The InChIKey is QLBRKVWXZLTJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine?
4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine has a molecular weight of 177.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethylidene)-1-methylpiperidine is sourced from PubChem (CID 11336692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).