1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride

C17H21Cl3F3N3 — CID 3060365

IUPAC1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride
SMILESCc1cnccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H18F3N3.3ClH/c1-13-12-21-6-5-16(13)23-9-7-22(8-10-23)15-4-2-3-14(11-15)17(18,19)20;;;/h2-6,11-12H,7-10H2,1H3;3*1H
InChIKeyPFNBMZRHXSOKTN-UHFFFAOYSA-N
MW430.73 g/mol
LogP5.00
Rot. Bonds2

About 1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride

1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride (PubChem CID 3060365) has the molecular formula C17H21Cl3F3N3 and a molecular weight of 430.73 g/mol. Its IUPAC name is 1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride.

Molecular Properties

Compound Name1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride
PubChem CID3060365
Molecular FormulaC17H21Cl3F3N3
Molecular Weight430.73 g/mol
Exact Mass429.08
IUPAC Name1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride
SMILESCc1cnccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H18F3N3.3ClH/c1-13-12-21-6-5-16(13)23-9-7-22(8-10-23)15-4-2-3-14(11-15)17(18,19)20;;;/h2-6,11-12H,7-10H2,1H3;3*1H
InChIKeyPFNBMZRHXSOKTN-UHFFFAOYSA-N
XLogP5.00
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.73
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 1214443
2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
CID 171334508
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
4-bromo-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-one
CID 133302857
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
S-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]thiohydroxylamine
CID 21446131
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride?
The IUPAC name of 1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride (CID 3060365) is 1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride.
What is the SMILES notation for 1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride?
The canonical SMILES for 1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride is Cc1cnccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl.Cl.Cl.
What is the InChIKey of 1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride?
The InChIKey is PFNBMZRHXSOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3.3ClH/c1-13-12-21-6-5-16(13)23-9-7-22(8-10-23)15-4-2-3-14(11-15)17(18,19)20;;;/h2-6,11-12H,7-10H2,1H3;3*1H.
What are the key properties of 1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride?
1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride has a molecular weight of 430.73 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride is sourced from PubChem (CID 3060365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).