1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine

C16H31N3 — CID 70165284

IUPAC1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine
SMILESCC/C=C(\CC(C)N1CCCCC1)CN1CCNC1
InChIInChI=1S/C16H31N3/c1-3-7-16(13-18-11-8-17-14-18)12-15(2)19-9-5-4-6-10-19/h7,15,17H,3-6,8-14H2,1-2H3/b16-7+
InChIKeyQCGDNXNPUHGPIB-FRKPEAEDSA-N
MW265.44 g/mol
LogP2.45
Rot. Bonds6

About 1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine

1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine (PubChem CID 70165284) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine.

Molecular Properties

Compound Name1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine
PubChem CID70165284
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine
SMILESCC/C=C(\CC(C)N1CCCCC1)CN1CCNC1
InChIInChI=1S/C16H31N3/c1-3-7-16(13-18-11-8-17-14-18)12-15(2)19-9-5-4-6-10-19/h7,15,17H,3-6,8-14H2,1-2H3/b16-7+
InChIKeyQCGDNXNPUHGPIB-FRKPEAEDSA-N
XLogP2.45
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine?
The IUPAC name of 1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine (CID 70165284) is 1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine.
What is the SMILES notation for 1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine?
The canonical SMILES for 1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine is CC/C=C(\CC(C)N1CCCCC1)CN1CCNC1.
What is the InChIKey of 1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine?
The InChIKey is QCGDNXNPUHGPIB-FRKPEAEDSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-7-16(13-18-11-8-17-14-18)12-15(2)19-9-5-4-6-10-19/h7,15,17H,3-6,8-14H2,1-2H3/b16-7+.
What are the key properties of 1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine?
1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine has a molecular weight of 265.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine is sourced from PubChem (CID 70165284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).