4-[(E)-2-piperidin-4-ylethenyl]piperidine

C12H22N2 — CID 6309499

IUPAC4-[(E)-2-piperidin-4-ylethenyl]piperidine
SMILESC(=C/C1CCNCC1)\C1CCNCC1
InChIInChI=1S/C12H22N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-2,11-14H,3-10H2/b2-1+
InChIKeyMZLYCBKGCOAZLW-OWOJBTEDSA-N
MW194.32 g/mol
LogP1.54
Rot. Bonds2

About 4-[(E)-2-piperidin-4-ylethenyl]piperidine

4-[(E)-2-piperidin-4-ylethenyl]piperidine (PubChem CID 6309499) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-[(E)-2-piperidin-4-ylethenyl]piperidine.

Molecular Properties

Compound Name4-[(E)-2-piperidin-4-ylethenyl]piperidine
PubChem CID6309499
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-[(E)-2-piperidin-4-ylethenyl]piperidine
SMILESC(=C/C1CCNCC1)\C1CCNCC1
InChIInChI=1S/C12H22N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-2,11-14H,3-10H2/b2-1+
InChIKeyMZLYCBKGCOAZLW-OWOJBTEDSA-N
XLogP1.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-piperidin-4-ylethenyl]piperidine?
The IUPAC name of 4-[(E)-2-piperidin-4-ylethenyl]piperidine (CID 6309499) is 4-[(E)-2-piperidin-4-ylethenyl]piperidine.
What is the SMILES notation for 4-[(E)-2-piperidin-4-ylethenyl]piperidine?
The canonical SMILES for 4-[(E)-2-piperidin-4-ylethenyl]piperidine is C(=C/C1CCNCC1)\C1CCNCC1.
What is the InChIKey of 4-[(E)-2-piperidin-4-ylethenyl]piperidine?
The InChIKey is MZLYCBKGCOAZLW-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H22N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-2,11-14H,3-10H2/b2-1+.
What are the key properties of 4-[(E)-2-piperidin-4-ylethenyl]piperidine?
4-[(E)-2-piperidin-4-ylethenyl]piperidine has a molecular weight of 194.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-piperidin-4-ylethenyl]piperidine is sourced from PubChem (CID 6309499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).