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

C19H22F3N3O — CID 90644057

IUPAC1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine
SMILESFC(F)(F)c1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H22F3N3O/c20-19(21,22)16-5-7-17(8-6-16)26-15-3-10-24-11-13-25(14-12-24)18-4-1-2-9-23-18/h1-2,4-9H,3,10-15H2
InChIKeyAPDUBUJHUYQKMX-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.69
Rot. Bonds6

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

1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine (PubChem CID 90644057) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine
PubChem CID90644057
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine
SMILESFC(F)(F)c1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H22F3N3O/c20-19(21,22)16-5-7-17(8-6-16)26-15-3-10-24-11-13-25(14-12-24)18-4-1-2-9-23-18/h1-2,4-9H,3,10-15H2
InChIKeyAPDUBUJHUYQKMX-UHFFFAOYSA-N
XLogP3.69
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine (CID 90644057) is 1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine is FC(F)(F)c1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine?
The InChIKey is APDUBUJHUYQKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c20-19(21,22)16-5-7-17(8-6-16)26-15-3-10-24-11-13-25(14-12-24)18-4-1-2-9-23-18/h1-2,4-9H,3,10-15H2.
What are the key properties of 1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine?
1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine has a molecular weight of 365.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine is sourced from PubChem (CID 90644057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).