1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine

C16H16F3N3 — CID 110452554

IUPAC1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C16H16F3N3/c17-16(18,19)13-4-3-5-14(12-13)21-8-10-22(11-9-21)15-6-1-2-7-20-15/h1-7,12H,8-11H2
InChIKeyOTDAHPFATKYEFJ-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.43
Rot. Bonds2

About 1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine

1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 110452554) has the molecular formula C16H16F3N3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID110452554
Molecular FormulaC16H16F3N3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C16H16F3N3/c17-16(18,19)13-4-3-5-14(12-13)21-8-10-22(11-9-21)15-6-1-2-7-20-15/h1-7,12H,8-11H2
InChIKeyOTDAHPFATKYEFJ-UHFFFAOYSA-N
XLogP3.43
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293
1-[(2-methyl-5-phenyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 10322750
4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282517
2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 4288228
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 163351981
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
CID 171334508
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
N-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
CID 122174297
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine (CID 110452554) is 1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is OTDAHPFATKYEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3/c17-16(18,19)13-4-3-5-14(12-13)21-8-10-22(11-9-21)15-6-1-2-7-20-15/h1-7,12H,8-11H2.
What are the key properties of 1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine?
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 307.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 110452554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).