4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine

C14H24FN — CID 143402894

IUPAC4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine
SMILESC/C=C(\C=C/C(C)F)CC1CCN(C)CC1
InChIInChI=1S/C14H24FN/c1-4-13(6-5-12(2)15)11-14-7-9-16(3)10-8-14/h4-6,12,14H,7-11H2,1-3H3/b6-5-,13-4+
InChIKeyQJAPPSYDBSLEAL-BDNXDWBHSA-N
MW225.35 g/mol
LogP3.58
Rot. Bonds4

About 4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine

4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine (PubChem CID 143402894) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine
PubChem CID143402894
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine
SMILESC/C=C(\C=C/C(C)F)CC1CCN(C)CC1
InChIInChI=1S/C14H24FN/c1-4-13(6-5-12(2)15)11-14-7-9-16(3)10-8-14/h4-6,12,14H,7-11H2,1-3H3/b6-5-,13-4+
InChIKeyQJAPPSYDBSLEAL-BDNXDWBHSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.58
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

3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
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1-(6-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485229
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
2-Ethyltetrahydroisoquinoline
CID 129739616
N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-[(2,6-Difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 66807098
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

Frequently Asked Questions

What is the IUPAC name of 4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine?
The IUPAC name of 4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine (CID 143402894) is 4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine?
The canonical SMILES for 4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine is C/C=C(\C=C/C(C)F)CC1CCN(C)CC1.
What is the InChIKey of 4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine?
The InChIKey is QJAPPSYDBSLEAL-BDNXDWBHSA-N. The full InChI is InChI=1S/C14H24FN/c1-4-13(6-5-12(2)15)11-14-7-9-16(3)10-8-14/h4-6,12,14H,7-11H2,1-3H3/b6-5-,13-4+.
What are the key properties of 4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine?
4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine has a molecular weight of 225.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]-1-methylpiperidine is sourced from PubChem (CID 143402894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).