1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine

C16H31N3 — CID 70165282

IUPAC1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine
SMILESC/C=C(/C(C)N1CCNC1)C(C)N1CCCCC1C
InChIInChI=1S/C16H31N3/c1-5-16(14(3)18-11-9-17-12-18)15(4)19-10-7-6-8-13(19)2/h5,13-15,17H,6-12H2,1-4H3/b16-5-
InChIKeySDLSQZWFMKHAFN-BNCCVWRVSA-N
MW265.44 g/mol
LogP2.45
Rot. Bonds4

About 1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine

1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine (PubChem CID 70165282) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine
PubChem CID70165282
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine
SMILESC/C=C(/C(C)N1CCNC1)C(C)N1CCCCC1C
InChIInChI=1S/C16H31N3/c1-5-16(14(3)18-11-9-17-12-18)15(4)19-10-7-6-8-13(19)2/h5,13-15,17H,6-12H2,1-4H3/b16-5-
InChIKeySDLSQZWFMKHAFN-BNCCVWRVSA-N
XLogP2.45
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.45
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)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine?
The IUPAC name of 1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine (CID 70165282) is 1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine.
What is the SMILES notation for 1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine?
The canonical SMILES for 1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine is C/C=C(/C(C)N1CCNC1)C(C)N1CCCCC1C.
What is the InChIKey of 1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine?
The InChIKey is SDLSQZWFMKHAFN-BNCCVWRVSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-16(14(3)18-11-9-17-12-18)15(4)19-10-7-6-8-13(19)2/h5,13-15,17H,6-12H2,1-4H3/b16-5-.
What are the key properties of 1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine?
1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine has a molecular weight of 265.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine is sourced from PubChem (CID 70165282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).