2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride

C12H17Cl2F3N2 — CID 140514504

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccc(CC2CNCCN2)cc1
InChIInChI=1S/C12H15F3N2.2ClH/c13-12(14,15)10-3-1-9(2-4-10)7-11-8-16-5-6-17-11;;/h1-4,11,16-17H,5-8H2;2*1H
InChIKeyNRJXFUCNBDMFJA-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.65
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride

2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 140514504) has the molecular formula C12H17Cl2F3N2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
PubChem CID140514504
Molecular FormulaC12H17Cl2F3N2
Molecular Weight317.18 g/mol
Exact Mass316.07
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccc(CC2CNCCN2)cc1
InChIInChI=1S/C12H15F3N2.2ClH/c13-12(14,15)10-3-1-9(2-4-10)7-11-8-16-5-6-17-11;;/h1-4,11,16-17H,5-8H2;2*1H
InChIKeyNRJXFUCNBDMFJA-UHFFFAOYSA-N
XLogP2.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
(2S)-2-[(4-bromophenyl)methyl]piperazine
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CID 131868892
4-(1,4,7,10,13,16-hexazacyclooctadec-2-ylmethyl)aniline
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(2S)-2-[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
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CID 47002379
[4-[[(2R)-piperazin-2-yl]methyl]phenyl] trifluoromethanesulfonate
CID 87722775
4-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 106778831
4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide
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N-hydroxy-4-[[(2S)-piperazin-2-yl]methyl]benzeneamine oxide
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride (CID 140514504) is 2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)c1ccc(CC2CNCCN2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
The InChIKey is NRJXFUCNBDMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2.2ClH/c13-12(14,15)10-3-1-9(2-4-10)7-11-8-16-5-6-17-11;;/h1-4,11,16-17H,5-8H2;2*1H.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride?
2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 317.18 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 140514504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).