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

C12H23N3 — CID 18547141

IUPAC1-[2-(imidazolidin-1-ylmethyl)prop-2-enyl]piperidine
SMILESC=C(CN1CCCCC1)CN1CCNC1
InChIInChI=1S/C12H23N3/c1-12(10-15-8-5-13-11-15)9-14-6-3-2-4-7-14/h13H,1-11H2
InChIKeyRYCCWRIOYUUMJB-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.89
Rot. Bonds4

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

1-[2-(imidazolidin-1-ylmethyl)prop-2-enyl]piperidine (PubChem CID 18547141) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-[2-(imidazolidin-1-ylmethyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name1-[2-(imidazolidin-1-ylmethyl)prop-2-enyl]piperidine
PubChem CID18547141
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-[2-(imidazolidin-1-ylmethyl)prop-2-enyl]piperidine
SMILESC=C(CN1CCCCC1)CN1CCNC1
InChIInChI=1S/C12H23N3/c1-12(10-15-8-5-13-11-15)9-14-6-3-2-4-7-14/h13H,1-11H2
InChIKeyRYCCWRIOYUUMJB-UHFFFAOYSA-N
XLogP0.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.89
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)prop-2-enyl]piperidine?
The IUPAC name of 1-[2-(imidazolidin-1-ylmethyl)prop-2-enyl]piperidine (CID 18547141) is 1-[2-(imidazolidin-1-ylmethyl)prop-2-enyl]piperidine.
What is the SMILES notation for 1-[2-(imidazolidin-1-ylmethyl)prop-2-enyl]piperidine?
The canonical SMILES for 1-[2-(imidazolidin-1-ylmethyl)prop-2-enyl]piperidine is C=C(CN1CCCCC1)CN1CCNC1.
What is the InChIKey of 1-[2-(imidazolidin-1-ylmethyl)prop-2-enyl]piperidine?
The InChIKey is RYCCWRIOYUUMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(10-15-8-5-13-11-15)9-14-6-3-2-4-7-14/h13H,1-11H2.
What are the key properties of 1-[2-(imidazolidin-1-ylmethyl)prop-2-enyl]piperidine?
1-[2-(imidazolidin-1-ylmethyl)prop-2-enyl]piperidine has a molecular weight of 209.34 g/mol, XLogP of 0.89, 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)prop-2-enyl]piperidine is sourced from PubChem (CID 18547141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).