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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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).