4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine

C13H23NO — CID 142254546

IUPAC4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine
SMILESC/C=C\C(=C(/CC)OC)C1CCNCC1
InChIInChI=1S/C13H23NO/c1-4-6-12(13(5-2)15-3)11-7-9-14-10-8-11/h4,6,11,14H,5,7-10H2,1-3H3/b6-4-,13-12-
InChIKeyXHUXTTMCQXWXDC-SCEXNVPMSA-N
MW209.33 g/mol
LogP2.87
Rot. Bonds4

About 4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine

4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine (PubChem CID 142254546) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine.

Molecular Properties

Compound Name4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine
PubChem CID142254546
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine
SMILESC/C=C\C(=C(/CC)OC)C1CCNCC1
InChIInChI=1S/C13H23NO/c1-4-6-12(13(5-2)15-3)11-7-9-14-10-8-11/h4,6,11,14H,5,7-10H2,1-3H3/b6-4-,13-12-
InChIKeyXHUXTTMCQXWXDC-SCEXNVPMSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,4E)-3-ethyl-4-(1-fluoroprop-2-enylidene)-6-methoxy-N-methyloct-5-en-1-amine
CID 134301409
4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 88308841
6-Ethyl-7-methoxy-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 89109781
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperidine
CID 89292690
4-(1-Ethoxyprop-1-enyl)piperidine
CID 90986736
4-Penta-1,3-dien-3-ylpiperidine
CID 91103322
4-Methoxy-3-piperidin-4-yl-1,2-dihydropyridine
CID 118610283
6-Methoxy-5-piperidin-4-yl-1,2-dihydropyridine
CID 118610355
3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine
CID 123331927
4-Hexa-2,4-dien-3-ylpiperidine
CID 123383033
4-Hepta-2,4-dien-4-ylpiperidine
CID 123621676
4-[(2Z,4Z)-nona-2,4,7-trien-4-yl]piperidine
CID 126517133

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine?
The IUPAC name of 4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine (CID 142254546) is 4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine.
What is the SMILES notation for 4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine?
The canonical SMILES for 4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine is C/C=C\C(=C(/CC)OC)C1CCNCC1.
What is the InChIKey of 4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine?
The InChIKey is XHUXTTMCQXWXDC-SCEXNVPMSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-6-12(13(5-2)15-3)11-7-9-14-10-8-11/h4,6,11,14H,5,7-10H2,1-3H3/b6-4-,13-12-.
What are the key properties of 4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine?
4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine has a molecular weight of 209.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E)-5-methoxyhepta-2,4-dien-4-yl]piperidine is sourced from PubChem (CID 142254546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).