4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine

C13H22FN — CID 164862654

IUPAC4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine
SMILESC/C=C(/F)C/C=C\CC1(C)CCNCC1
InChIInChI=1S/C13H22FN/c1-3-12(14)6-4-5-7-13(2)8-10-15-11-9-13/h3-5,15H,6-11H2,1-2H3/b5-4-,12-3+
InChIKeyXVCIAYXOQFADHK-YPBGMLOESA-N
MW211.32 g/mol
LogP3.59
Rot. Bonds4

About 4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine

4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine (PubChem CID 164862654) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine
PubChem CID164862654
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine
SMILESC/C=C(/F)C/C=C\CC1(C)CCNCC1
InChIInChI=1S/C13H22FN/c1-3-12(14)6-4-5-7-13(2)8-10-15-11-9-13/h3-5,15H,6-11H2,1-2H3/b5-4-,12-3+
InChIKeyXVCIAYXOQFADHK-YPBGMLOESA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Azaspiro[5.5]undec-8-ene
CID 13106448
7-Azaspiro[3.5]non-1-enehydrochloride
CID 165652470
(S)-3-Allyl-3-ethylpiperidine
CID 53495113
Di(2 propenyl)piperidine
CID 69724067
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
4-Allyl-4-fluoropiperidine
CID 112563266
2-(5-Fluorohexa-1,3,5-trien-3-yl)-7-azaspiro[3.5]non-2-ene
CID 123336996
N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine
CID 129055443
4-fluoro-4-[(2E,4E)-hepta-2,4-dien-6-yn-2-yl]piperidine
CID 130216858
4-fluoro-4-[(E)-prop-1-enyl]piperidine
CID 131577677

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine?
The IUPAC name of 4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine (CID 164862654) is 4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine.
What is the SMILES notation for 4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine?
The canonical SMILES for 4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine is C/C=C(/F)C/C=C\CC1(C)CCNCC1.
What is the InChIKey of 4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine?
The InChIKey is XVCIAYXOQFADHK-YPBGMLOESA-N. The full InChI is InChI=1S/C13H22FN/c1-3-12(14)6-4-5-7-13(2)8-10-15-11-9-13/h3-5,15H,6-11H2,1-2H3/b5-4-,12-3+.
What are the key properties of 4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine?
4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine has a molecular weight of 211.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,5E)-5-fluorohepta-2,5-dienyl]-4-methylpiperidine is sourced from PubChem (CID 164862654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).