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

C17H31N — CID 144975946

IUPACethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine
SMILESC=C/C=C(\C=C/C)C1CCCCN1C(C)C.CC
InChIInChI=1S/C15H25N.C2H6/c1-5-9-14(10-6-2)15-11-7-8-12-16(15)13(3)4;1-2/h5-6,9-10,13,15H,1,7-8,11-12H2,2-4H3;1-2H3/b10-6-,14-9+;
InChIKeyKOUCMQIASDDHTH-DSVGSESYSA-N
MW249.44 g/mol
LogP4.96
Rot. Bonds4

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

ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine (PubChem CID 144975946) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine
PubChem CID144975946
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Nameethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine
SMILESC=C/C=C(\C=C/C)C1CCCCN1C(C)C.CC
InChIInChI=1S/C15H25N.C2H6/c1-5-9-14(10-6-2)15-11-7-8-12-16(15)13(3)4;1-2/h5-6,9-10,13,15H,1,7-8,11-12H2,2-4H3;1-2H3/b10-6-,14-9+;
InChIKeyKOUCMQIASDDHTH-DSVGSESYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.96
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;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine?
The IUPAC name of ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine (CID 144975946) is ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine is C=C/C=C(\C=C/C)C1CCCCN1C(C)C.CC.
What is the InChIKey of ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine?
The InChIKey is KOUCMQIASDDHTH-DSVGSESYSA-N. The full InChI is InChI=1S/C15H25N.C2H6/c1-5-9-14(10-6-2)15-11-7-8-12-16(15)13(3)4;1-2/h5-6,9-10,13,15H,1,7-8,11-12H2,2-4H3;1-2H3/b10-6-,14-9+;.
What are the key properties of ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine?
ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine has a molecular weight of 249.44 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 144975946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).