1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine

C14H27N3 — CID 70025416

IUPAC1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine
SMILESC/C=C(\CN1CCCCC1)CN1CCNCC1
InChIInChI=1S/C14H27N3/c1-2-14(12-16-8-4-3-5-9-16)13-17-10-6-15-7-11-17/h2,15H,3-13H2,1H3/b14-2+
InChIKeyWVHZBMSPNOEPLE-JLZUIIAYSA-N
MW237.39 g/mol
LogP1.32
Rot. Bonds4

About 1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine

1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine (PubChem CID 70025416) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine
PubChem CID70025416
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine
SMILESC/C=C(\CN1CCCCC1)CN1CCNCC1
InChIInChI=1S/C14H27N3/c1-2-14(12-16-8-4-3-5-9-16)13-17-10-6-15-7-11-17/h2,15H,3-13H2,1H3/b14-2+
InChIKeyWVHZBMSPNOEPLE-JLZUIIAYSA-N
XLogP1.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine?
The IUPAC name of 1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine (CID 70025416) is 1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine is C/C=C(\CN1CCCCC1)CN1CCNCC1.
What is the InChIKey of 1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine?
The InChIKey is WVHZBMSPNOEPLE-JLZUIIAYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-14(12-16-8-4-3-5-9-16)13-17-10-6-15-7-11-17/h2,15H,3-13H2,1H3/b14-2+.
What are the key properties of 1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine?
1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine has a molecular weight of 237.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(piperidin-1-ylmethyl)but-2-enyl]piperazine is sourced from PubChem (CID 70025416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).