1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine

C9H17F3N2 — CID 117273381

IUPAC1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine
SMILESCC(C)(CN1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-8(2,9(10,11)12)7-14-5-3-13-4-6-14/h13H,3-7H2,1-2H3
InChIKeyBCZMNPSBCGJARB-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.48
Rot. Bonds2

About 1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine

1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine (PubChem CID 117273381) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine
PubChem CID117273381
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine
SMILESCC(C)(CN1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-8(2,9(10,11)12)7-14-5-3-13-4-6-14/h13H,3-7H2,1-2H3
InChIKeyBCZMNPSBCGJARB-UHFFFAOYSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine?
The IUPAC name of 1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine (CID 117273381) is 1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine.
What is the SMILES notation for 1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine?
The canonical SMILES for 1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine is CC(C)(CN1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine?
The InChIKey is BCZMNPSBCGJARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-8(2,9(10,11)12)7-14-5-3-13-4-6-14/h13H,3-7H2,1-2H3.
What are the key properties of 1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine?
1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine has a molecular weight of 210.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine is sourced from PubChem (CID 117273381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).