4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile

C18H17F3N4O — CID 1487144

IUPAC4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1ccnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C#N
InChIInChI=1S/C18H17F3N4O/c1-26-16-5-6-23-17(15(16)12-22)25-9-7-24(8-10-25)14-4-2-3-13(11-14)18(19,20)21/h2-6,11H,7-10H2,1H3
InChIKeyPLYYJPHSBHOHLU-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.31
Rot. Bonds3

About 4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile

4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 1487144) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID1487144
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1ccnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C#N
InChIInChI=1S/C18H17F3N4O/c1-26-16-5-6-23-17(15(16)12-22)25-9-7-24(8-10-25)14-4-2-3-13(11-14)18(19,20)21/h2-6,11H,7-10H2,1H3
InChIKeyPLYYJPHSBHOHLU-UHFFFAOYSA-N
XLogP3.31
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 1487144) is 4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile is COc1ccnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C#N.
What is the InChIKey of 4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is PLYYJPHSBHOHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-26-16-5-6-23-17(15(16)12-22)25-9-7-24(8-10-25)14-4-2-3-13(11-14)18(19,20)21/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile?
4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 362.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 1487144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).