4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine

C10H15N3 — CID 131238700

IUPAC4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine
SMILESC(=C/C1CCNCC1)\c1cnc[nH]1
InChIInChI=1S/C10H15N3/c1(2-10-7-12-8-13-10)9-3-5-11-6-4-9/h1-2,7-9,11H,3-6H2,(H,12,13)/b2-1+
InChIKeyNJWZNMZEXNNIGH-OWOJBTEDSA-N
MW177.25 g/mol
LogP1.42
Rot. Bonds2

About 4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine

4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine (PubChem CID 131238700) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine.

Molecular Properties

Compound Name4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine
PubChem CID131238700
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine
SMILESC(=C/C1CCNCC1)\c1cnc[nH]1
InChIInChI=1S/C10H15N3/c1(2-10-7-12-8-13-10)9-3-5-11-6-4-9/h1-2,7-9,11H,3-6H2,(H,12,13)/b2-1+
InChIKeyNJWZNMZEXNNIGH-OWOJBTEDSA-N
XLogP1.42
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine?
The IUPAC name of 4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine (CID 131238700) is 4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine.
What is the SMILES notation for 4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine?
The canonical SMILES for 4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine is C(=C/C1CCNCC1)\c1cnc[nH]1.
What is the InChIKey of 4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine?
The InChIKey is NJWZNMZEXNNIGH-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H15N3/c1(2-10-7-12-8-13-10)9-3-5-11-6-4-9/h1-2,7-9,11H,3-6H2,(H,12,13)/b2-1+.
What are the key properties of 4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine?
4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine has a molecular weight of 177.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1H-imidazol-5-yl)ethenyl]piperidine is sourced from PubChem (CID 131238700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).