1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine

C13H25N3 — CID 70027116

IUPAC1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine
SMILESCC=C(CN1CCCCC1)CN1CCNC1
InChIInChI=1S/C13H25N3/c1-2-13(11-16-9-6-14-12-16)10-15-7-4-3-5-8-15/h2,14H,3-12H2,1H3
InChIKeyTVWYBYAOHLGWOR-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.28
Rot. Bonds4

About 1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine

1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine (PubChem CID 70027116) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine.

Molecular Properties

Compound Name1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine
PubChem CID70027116
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine
SMILESCC=C(CN1CCCCC1)CN1CCNC1
InChIInChI=1S/C13H25N3/c1-2-13(11-16-9-6-14-12-16)10-15-7-4-3-5-8-15/h2,14H,3-12H2,1H3
InChIKeyTVWYBYAOHLGWOR-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
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-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine?
The IUPAC name of 1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine (CID 70027116) is 1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine.
What is the SMILES notation for 1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine?
The canonical SMILES for 1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine is CC=C(CN1CCCCC1)CN1CCNC1.
What is the InChIKey of 1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine?
The InChIKey is TVWYBYAOHLGWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-2-13(11-16-9-6-14-12-16)10-15-7-4-3-5-8-15/h2,14H,3-12H2,1H3.
What are the key properties of 1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine?
1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine has a molecular weight of 223.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine is sourced from PubChem (CID 70027116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).