1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine

C10H16F3N — CID 58742139

IUPAC1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine
SMILESC/C=C/CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c1-2-3-6-14-7-4-9(5-8-14)10(11,12)13/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyIEVZDAYPVFJNJI-NSCUHMNNSA-N
MW207.24 g/mol
LogP2.84
Rot. Bonds2

About 1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine

1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine (PubChem CID 58742139) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine
PubChem CID58742139
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine
SMILESC/C=C/CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c1-2-3-6-14-7-4-9(5-8-14)10(11,12)13/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyIEVZDAYPVFJNJI-NSCUHMNNSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine (CID 58742139) is 1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine is C/C=C/CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine?
The InChIKey is IEVZDAYPVFJNJI-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H16F3N/c1-2-3-6-14-7-4-9(5-8-14)10(11,12)13/h2-3,9H,4-8H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine?
1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine has a molecular weight of 207.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 58742139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).