1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine

C14H19F3N2 — CID 171166539

IUPAC1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine
SMILESCc1cccc([C@H](CC(F)(F)F)N2CCNCC2)c1
InChIInChI=1S/C14H19F3N2/c1-11-3-2-4-12(9-11)13(10-14(15,16)17)19-7-5-18-6-8-19/h2-4,9,13,18H,5-8,10H2,1H3/t13-/m0/s1
InChIKeyZLDRTHILEDJSRL-ZDUSSCGKSA-N
MW272.31 g/mol
LogP2.89
Rot. Bonds3

About 1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine

1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine (PubChem CID 171166539) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine
PubChem CID171166539
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine
SMILESCc1cccc([C@H](CC(F)(F)F)N2CCNCC2)c1
InChIInChI=1S/C14H19F3N2/c1-11-3-2-4-12(9-11)13(10-14(15,16)17)19-7-5-18-6-8-19/h2-4,9,13,18H,5-8,10H2,1H3/t13-/m0/s1
InChIKeyZLDRTHILEDJSRL-ZDUSSCGKSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
CID 171171813
3-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]benzonitrile
CID 171303452
1-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172722
(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189206
1-[(1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propyl]piperazine;dihydrochloride
CID 171303263
1-[(1R)-1-(3,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171172047
1-[(1R)-1-(4-tert-butylphenyl)-3,3,3-trifluoropropyl]piperazine
CID 171169001
1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine
CID 171172679
1-[(1R)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 171172681
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
2,6-diiodo-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol
CID 171167840
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171303090

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine?
The IUPAC name of 1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine (CID 171166539) is 1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine is Cc1cccc([C@H](CC(F)(F)F)N2CCNCC2)c1.
What is the InChIKey of 1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine?
The InChIKey is ZLDRTHILEDJSRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-11-3-2-4-12(9-11)13(10-14(15,16)17)19-7-5-18-6-8-19/h2-4,9,13,18H,5-8,10H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine?
1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine has a molecular weight of 272.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine is sourced from PubChem (CID 171166539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).