1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine

C12H21F3N2 — CID 154751819

IUPAC1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESC=CCCN1CCN(CC(F)(F)F)CC1(C)C
InChIInChI=1S/C12H21F3N2/c1-4-5-6-17-8-7-16(9-11(17,2)3)10-12(13,14)15/h4H,1,5-10H2,2-3H3
InChIKeyVWNKDDUVXCMLIP-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.52
Rot. Bonds4

About 1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine

1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 154751819) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID154751819
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESC=CCCN1CCN(CC(F)(F)F)CC1(C)C
InChIInChI=1S/C12H21F3N2/c1-4-5-6-17-8-7-16(9-11(17,2)3)10-12(13,14)15/h4H,1,5-10H2,2-3H3
InChIKeyVWNKDDUVXCMLIP-UHFFFAOYSA-N
XLogP2.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine (CID 154751819) is 1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine is C=CCCN1CCN(CC(F)(F)F)CC1(C)C.
What is the InChIKey of 1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is VWNKDDUVXCMLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-4-5-6-17-8-7-16(9-11(17,2)3)10-12(13,14)15/h4H,1,5-10H2,2-3H3.
What are the key properties of 1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine?
1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 250.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 154751819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).