1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine

C13H21F3N2 — CID 129042810

IUPAC1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine
SMILESFC(F)(F)C1=CC(CCN2CCNCC2)CCC1
InChIInChI=1S/C13H21F3N2/c14-13(15,16)12-3-1-2-11(10-12)4-7-18-8-5-17-6-9-18/h10-11,17H,1-9H2
InChIKeyAAVRTRDNHYQPLI-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.57
Rot. Bonds3

About 1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine

1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine (PubChem CID 129042810) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine
PubChem CID129042810
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine
SMILESFC(F)(F)C1=CC(CCN2CCNCC2)CCC1
InChIInChI=1S/C13H21F3N2/c14-13(15,16)12-3-1-2-11(10-12)4-7-18-8-5-17-6-9-18/h10-11,17H,1-9H2
InChIKeyAAVRTRDNHYQPLI-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
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-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine?
The IUPAC name of 1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine (CID 129042810) is 1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine is FC(F)(F)C1=CC(CCN2CCNCC2)CCC1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine?
The InChIKey is AAVRTRDNHYQPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c14-13(15,16)12-3-1-2-11(10-12)4-7-18-8-5-17-6-9-18/h10-11,17H,1-9H2.
What are the key properties of 1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine?
1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine has a molecular weight of 262.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethyl)cyclohex-2-en-1-yl]ethyl]piperazine is sourced from PubChem (CID 129042810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).