4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine

C17H29NO — CID 142997990

IUPAC4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine
SMILESC=C/C=C\C(=C/C)OCCCN1CCC(CC)CC1
InChIInChI=1S/C17H29NO/c1-4-7-9-17(6-3)19-15-8-12-18-13-10-16(5-2)11-14-18/h4,6-7,9,16H,1,5,8,10-15H2,2-3H3/b9-7-,17-6+
InChIKeyXWYLZPCFVIHEOK-FJGJKEDSSA-N
MW263.43 g/mol
LogP4.16
Rot. Bonds8

About 4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine

4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine (PubChem CID 142997990) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine.

Molecular Properties

Compound Name4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine
PubChem CID142997990
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine
SMILESC=C/C=C\C(=C/C)OCCCN1CCC(CC)CC1
InChIInChI=1S/C17H29NO/c1-4-7-9-17(6-3)19-15-8-12-18-13-10-16(5-2)11-14-18/h4,6-7,9,16H,1,5,8,10-15H2,2-3H3/b9-7-,17-6+
InChIKeyXWYLZPCFVIHEOK-FJGJKEDSSA-N
XLogP4.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine?
The IUPAC name of 4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine (CID 142997990) is 4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine.
What is the SMILES notation for 4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine?
The canonical SMILES for 4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine is C=C/C=C\C(=C/C)OCCCN1CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine?
The InChIKey is XWYLZPCFVIHEOK-FJGJKEDSSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-7-9-17(6-3)19-15-8-12-18-13-10-16(5-2)11-14-18/h4,6-7,9,16H,1,5,8,10-15H2,2-3H3/b9-7-,17-6+.
What are the key properties of 4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine?
4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine has a molecular weight of 263.43 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxypropyl]piperidine is sourced from PubChem (CID 142997990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).