3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine

C15H21F3N2 — CID 176717060

IUPAC3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
SMILESCCC(c1ccc(C(F)(F)F)cc1)N1CCNC(C)C1
InChIInChI=1S/C15H21F3N2/c1-3-14(20-9-8-19-11(2)10-20)12-4-6-13(7-5-12)15(16,17)18/h4-7,11,14,19H,3,8-10H2,1-2H3
InChIKeyMRVYCWHQHWLOOB-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.45
Rot. Bonds3

About 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine

3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine (PubChem CID 176717060) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
PubChem CID176717060
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
SMILESCCC(c1ccc(C(F)(F)F)cc1)N1CCNC(C)C1
InChIInChI=1S/C15H21F3N2/c1-3-14(20-9-8-19-11(2)10-20)12-4-6-13(7-5-12)15(16,17)18/h4-7,11,14,19H,3,8-10H2,1-2H3
InChIKeyMRVYCWHQHWLOOB-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83978628
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
CID 171167100
2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978630
4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine
CID 134949179
1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171162894
1-[(1R)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171168374
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
2-[1-(3-methylpiperazin-1-yl)propyl]phenol
CID 65417239
1-[(1S)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308640
methyl (2S)-2-[(3S)-3-methylpiperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propanoate
CID 126559278
1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978178

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine?
The IUPAC name of 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine (CID 176717060) is 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine.
What is the SMILES notation for 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine?
The canonical SMILES for 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine is CCC(c1ccc(C(F)(F)F)cc1)N1CCNC(C)C1.
What is the InChIKey of 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine?
The InChIKey is MRVYCWHQHWLOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-3-14(20-9-8-19-11(2)10-20)12-4-6-13(7-5-12)15(16,17)18/h4-7,11,14,19H,3,8-10H2,1-2H3.
What are the key properties of 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine?
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine has a molecular weight of 286.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine is sourced from PubChem (CID 176717060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).