1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine

C28H52N2O — CID 139707327

IUPAC1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine
SMILESCCN1CCCCC1CCCCC=CCOCC=CCCCCC1CCCCN1CC
InChIInChI=1S/C28H52N2O/c1-3-29-23-15-13-21-27(29)19-11-7-5-9-17-25-31-26-18-10-6-8-12-20-28-22-14-16-24-30(28)4-2/h9-10,17-18,27-28H,3-8,11-16,19-26H2,1-2H3
InChIKeyITLSLOBHUJGKGT-UHFFFAOYSA-N
MW432.74 g/mol
LogP6.99
Rot. Bonds16

About 1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine

1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine (PubChem CID 139707327) has the molecular formula C28H52N2O and a molecular weight of 432.74 g/mol. Its IUPAC name is 1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine.

Molecular Properties

Compound Name1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine
PubChem CID139707327
Molecular FormulaC28H52N2O
Molecular Weight432.74 g/mol
Exact Mass432.41
IUPAC Name1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine
SMILESCCN1CCCCC1CCCCC=CCOCC=CCCCCC1CCCCN1CC
InChIInChI=1S/C28H52N2O/c1-3-29-23-15-13-21-27(29)19-11-7-5-9-17-25-31-26-18-10-6-8-12-20-28-22-14-16-24-30(28)4-2/h9-10,17-18,27-28H,3-8,11-16,19-26H2,1-2H3
InChIKeyITLSLOBHUJGKGT-UHFFFAOYSA-N
XLogP6.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,2,6,6-Pentamethyl-4-[3-[3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoxy]prop-1-enyl]piperidine
CID 70487055
1-Ethyl-2-[5-[5-(1-ethylpiperidin-2-yl)pent-2-enoxy]pent-3-enyl]piperidine
CID 139707323
N,N-diethyl-1-methoxydodec-2-en-4-amine
CID 151436173

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine?
The IUPAC name of 1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine (CID 139707327) is 1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine.
What is the SMILES notation for 1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine?
The canonical SMILES for 1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine is CCN1CCCCC1CCCCC=CCOCC=CCCCCC1CCCCN1CC.
What is the InChIKey of 1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine?
The InChIKey is ITLSLOBHUJGKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O/c1-3-29-23-15-13-21-27(29)19-11-7-5-9-17-25-31-26-18-10-6-8-12-20-28-22-14-16-24-30(28)4-2/h9-10,17-18,27-28H,3-8,11-16,19-26H2,1-2H3.
What are the key properties of 1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine?
1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine has a molecular weight of 432.74 g/mol, XLogP of 6.99, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine is sourced from PubChem (CID 139707327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).