ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine

C17H31N — CID 176937915

IUPACethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine
SMILESC=C/C=C(\C=C/C)N1CCC(C(C)C)CC1.CC
InChIInChI=1S/C15H25N.C2H6/c1-5-7-15(8-6-2)16-11-9-14(10-12-16)13(3)4;1-2/h5-8,13-14H,1,9-12H2,2-4H3;1-2H3/b8-6-,15-7+;
InChIKeyFZYXYLNWHIJRDW-MMWRLFOHSA-N
MW249.44 g/mol
LogP5.03
Rot. Bonds4

About ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine

ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine (PubChem CID 176937915) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine
PubChem CID176937915
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Nameethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine
SMILESC=C/C=C(\C=C/C)N1CCC(C(C)C)CC1.CC
InChIInChI=1S/C15H25N.C2H6/c1-5-7-15(8-6-2)16-11-9-14(10-12-16)13(3)4;1-2/h5-8,13-14H,1,9-12H2,2-4H3;1-2H3/b8-6-,15-7+;
InChIKeyFZYXYLNWHIJRDW-MMWRLFOHSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine?
The IUPAC name of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine (CID 176937915) is ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine.
What is the SMILES notation for ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine?
The canonical SMILES for ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine is C=C/C=C(\C=C/C)N1CCC(C(C)C)CC1.CC.
What is the InChIKey of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine?
The InChIKey is FZYXYLNWHIJRDW-MMWRLFOHSA-N. The full InChI is InChI=1S/C15H25N.C2H6/c1-5-7-15(8-6-2)16-11-9-14(10-12-16)13(3)4;1-2/h5-8,13-14H,1,9-12H2,2-4H3;1-2H3/b8-6-,15-7+;.
What are the key properties of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine?
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine has a molecular weight of 249.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 176937915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).