1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine

C13H25N3 — CID 70025152

IUPAC1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine
SMILESC/C=C(/CN1CCCC1)CN1CCNCC1
InChIInChI=1S/C13H25N3/c1-2-13(11-15-7-3-4-8-15)12-16-9-5-14-6-10-16/h2,14H,3-12H2,1H3/b13-2-
InChIKeyLWDGKOJGSMUXHC-SILLCRNTSA-N
MW223.36 g/mol
LogP0.93
Rot. Bonds4

About 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine

1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine (PubChem CID 70025152) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine
PubChem CID70025152
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine
SMILESC/C=C(/CN1CCCC1)CN1CCNCC1
InChIInChI=1S/C13H25N3/c1-2-13(11-15-7-3-4-8-15)12-16-9-5-14-6-10-16/h2,14H,3-12H2,1H3/b13-2-
InChIKeyLWDGKOJGSMUXHC-SILLCRNTSA-N
XLogP0.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.93
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-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine?
The IUPAC name of 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine (CID 70025152) is 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine.
What is the SMILES notation for 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine?
The canonical SMILES for 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine is C/C=C(/CN1CCCC1)CN1CCNCC1.
What is the InChIKey of 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine?
The InChIKey is LWDGKOJGSMUXHC-SILLCRNTSA-N. The full InChI is InChI=1S/C13H25N3/c1-2-13(11-15-7-3-4-8-15)12-16-9-5-14-6-10-16/h2,14H,3-12H2,1H3/b13-2-.
What are the key properties of 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine?
1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine has a molecular weight of 223.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine is sourced from PubChem (CID 70025152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).