(2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine

C14H23F3N2 — CID 138564647

IUPAC(2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine
SMILESC=CC(CN1CCN(C)[C@H](C)C1)C(C=C)C(F)(F)F
InChIInChI=1S/C14H23F3N2/c1-5-12(13(6-2)14(15,16)17)10-19-8-7-18(4)11(3)9-19/h5-6,11-13H,1-2,7-10H2,3-4H3/t11-,12?,13?/m1/s1
InChIKeyOWGIOSWBKOVLBJ-PNESKVBLSA-N
MW276.35 g/mol
LogP2.79
Rot. Bonds5

About (2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine

(2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine (PubChem CID 138564647) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is (2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine
PubChem CID138564647
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name(2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine
SMILESC=CC(CN1CCN(C)[C@H](C)C1)C(C=C)C(F)(F)F
InChIInChI=1S/C14H23F3N2/c1-5-12(13(6-2)14(15,16)17)10-19-8-7-18(4)11(3)9-19/h5-6,11-13H,1-2,7-10H2,3-4H3/t11-,12?,13?/m1/s1
InChIKeyOWGIOSWBKOVLBJ-PNESKVBLSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethenyl-3,3-difluoro-1-propan-2-ylpiperidine
CID 155034403
4-Ethenyl-2,2-difluoro-1-propan-2-ylpiperidine
CID 166466855
(2S,3R)-2-ethenyl-1,3-dimethyl-4-(trifluoromethyl)piperazine
CID 166870882
1-But-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine
CID 154751819
1-Methyl-4-(2-propan-2-ylbut-3-enyl)piperazine;molecular hydrogen
CID 144799008
1-methyl-4-[(3R)-3-methylpent-4-enyl]piperazine
CID 169947339
1-Methyl-4-(2-propan-2-ylbut-3-enyl)piperazine
CID 144799009

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine?
The IUPAC name of (2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine (CID 138564647) is (2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine.
What is the SMILES notation for (2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine?
The canonical SMILES for (2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine is C=CC(CN1CCN(C)[C@H](C)C1)C(C=C)C(F)(F)F.
What is the InChIKey of (2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine?
The InChIKey is OWGIOSWBKOVLBJ-PNESKVBLSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-5-12(13(6-2)14(15,16)17)10-19-8-7-18(4)11(3)9-19/h5-6,11-13H,1-2,7-10H2,3-4H3/t11-,12?,13?/m1/s1.
What are the key properties of (2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine?
(2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine has a molecular weight of 276.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-ethenyl-3-(trifluoromethyl)pent-4-enyl]-1,2-dimethylpiperazine is sourced from PubChem (CID 138564647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).