4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine

C13H22FN — CID 134365607

IUPAC4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine
SMILESCC/C(=C\C=C(/C)F)C1CCN(C)CC1
InChIInChI=1S/C13H22FN/c1-4-12(6-5-11(2)14)13-7-9-15(3)10-8-13/h5-6,13H,4,7-10H2,1-3H3/b11-5+,12-6+
InChIKeyNRRVNVMIMHAKIP-YDWXAUTNSA-N
MW211.32 g/mol
LogP3.54
Rot. Bonds3

About 4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine

4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine (PubChem CID 134365607) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine
PubChem CID134365607
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine
SMILESCC/C(=C\C=C(/C)F)C1CCN(C)CC1
InChIInChI=1S/C13H22FN/c1-4-12(6-5-11(2)14)13-7-9-15(3)10-8-13/h5-6,13H,4,7-10H2,1-3H3/b11-5+,12-6+
InChIKeyNRRVNVMIMHAKIP-YDWXAUTNSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
Cambridge id 5410985
CID 28239625
1-(3,7-Dimethyl-6-octen-1-yl)-4-methylpiperazine
CID 2845214
1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836536
(8aS)-2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836557
1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594

Frequently Asked Questions

What is the IUPAC name of 4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine?
The IUPAC name of 4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine (CID 134365607) is 4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine is CC/C(=C\C=C(/C)F)C1CCN(C)CC1.
What is the InChIKey of 4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine?
The InChIKey is NRRVNVMIMHAKIP-YDWXAUTNSA-N. The full InChI is InChI=1S/C13H22FN/c1-4-12(6-5-11(2)14)13-7-9-15(3)10-8-13/h5-6,13H,4,7-10H2,1-3H3/b11-5+,12-6+.
What are the key properties of 4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine?
4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine has a molecular weight of 211.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine is sourced from PubChem (CID 134365607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).