1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine

C11H17N3 — CID 11416895

IUPAC1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine
SMILESCCN1CCC(=Cc2cnc[nH]2)CC1
InChIInChI=1S/C11H17N3/c1-2-14-5-3-10(4-6-14)7-11-8-12-9-13-11/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyGNEZRTQDFCRQHS-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.91
Rot. Bonds2

About 1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine

1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine (PubChem CID 11416895) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine
PubChem CID11416895
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine
SMILESCCN1CCC(=Cc2cnc[nH]2)CC1
InChIInChI=1S/C11H17N3/c1-2-14-5-3-10(4-6-14)7-11-8-12-9-13-11/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyGNEZRTQDFCRQHS-UHFFFAOYSA-N
XLogP1.91
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine?
The IUPAC name of 1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine (CID 11416895) is 1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine.
What is the SMILES notation for 1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine?
The canonical SMILES for 1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine is CCN1CCC(=Cc2cnc[nH]2)CC1.
What is the InChIKey of 1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine?
The InChIKey is GNEZRTQDFCRQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-14-5-3-10(4-6-14)7-11-8-12-9-13-11/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine?
1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine has a molecular weight of 191.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1H-imidazol-5-ylmethylidene)piperidine is sourced from PubChem (CID 11416895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).