2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine

C14H19F3N2 — CID 64876492

IUPAC2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCC1CNC(c2ccccc2)CN1CCC(F)(F)F
InChIInChI=1S/C14H19F3N2/c1-11-9-18-13(12-5-3-2-4-6-12)10-19(11)8-7-14(15,16)17/h2-6,11,13,18H,7-10H2,1H3
InChIKeyWPMFBXRHDARPKF-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.97
Rot. Bonds3

About 2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine

2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 64876492) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID64876492
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine
SMILESCC1CNC(c2ccccc2)CN1CCC(F)(F)F
InChIInChI=1S/C14H19F3N2/c1-11-9-18-13(12-5-3-2-4-6-12)10-19(11)8-7-14(15,16)17/h2-6,11,13,18H,7-10H2,1H3
InChIKeyWPMFBXRHDARPKF-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine (CID 64876492) is 2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine is CC1CNC(c2ccccc2)CN1CCC(F)(F)F.
What is the InChIKey of 2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is WPMFBXRHDARPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-11-9-18-13(12-5-3-2-4-6-12)10-19(11)8-7-14(15,16)17/h2-6,11,13,18H,7-10H2,1H3.
What are the key properties of 2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine?
2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 272.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 64876492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).