1-phenyl-4-(3,3,3-trifluoropropyl)piperazine

C13H17F3N2 — CID 141293309

IUPAC1-phenyl-4-(3,3,3-trifluoropropyl)piperazine
SMILESFC(F)(F)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)6-7-17-8-10-18(11-9-17)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyIOHNPKQGNXVDTA-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.76
Rot. Bonds3

About 1-phenyl-4-(3,3,3-trifluoropropyl)piperazine

1-phenyl-4-(3,3,3-trifluoropropyl)piperazine (PubChem CID 141293309) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-phenyl-4-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(3,3,3-trifluoropropyl)piperazine
PubChem CID141293309
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-phenyl-4-(3,3,3-trifluoropropyl)piperazine
SMILESFC(F)(F)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)6-7-17-8-10-18(11-9-17)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyIOHNPKQGNXVDTA-UHFFFAOYSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]benzoic acid
CID 175746018
[4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide
CID 158330325
4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 91828439
3-benzyl-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 90103620
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
1-fluoro-4-phenylpiperazine
CID 23450926
3,3,3-trifluoro-2-[(4-phenylpiperazin-1-yl)methyl]propanethioamide
CID 103368482
ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine
CID 91214897
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-isoquinoline
CID 102386513

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 1-phenyl-4-(3,3,3-trifluoropropyl)piperazine (CID 141293309) is 1-phenyl-4-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 1-phenyl-4-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 1-phenyl-4-(3,3,3-trifluoropropyl)piperazine is FC(F)(F)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is IOHNPKQGNXVDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)6-7-17-8-10-18(11-9-17)12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 1-phenyl-4-(3,3,3-trifluoropropyl)piperazine?
1-phenyl-4-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 141293309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).