(4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene

C18H18F3N3 — CID 71324632

IUPAC(4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C18H18F3N3/c19-18(20,21)14-4-6-15(7-5-14)22-23-16-8-10-17(11-9-16)24-12-2-1-3-13-24/h4-11H,1-3,12-13H2/b23-22+
InChIKeyTUFBXBHCGUQFHA-GHVJWSGMSA-N
MW333.36 g/mol
LogP6.11
Rot. Bonds3

About (4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene

(4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene (PubChem CID 71324632) has the molecular formula C18H18F3N3 and a molecular weight of 333.36 g/mol. Its IUPAC name is (4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Name(4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene
PubChem CID71324632
Molecular FormulaC18H18F3N3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name(4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C18H18F3N3/c19-18(20,21)14-4-6-15(7-5-14)22-23-16-8-10-17(11-9-16)24-12-2-1-3-13-24/h4-11H,1-3,12-13H2/b23-22+
InChIKeyTUFBXBHCGUQFHA-GHVJWSGMSA-N
XLogP6.11
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.36
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene?
The IUPAC name of (4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene (CID 71324632) is (4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for (4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for (4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene is FC(F)(F)c1ccc(/N=N/c2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of (4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene?
The InChIKey is TUFBXBHCGUQFHA-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H18F3N3/c19-18(20,21)14-4-6-15(7-5-14)22-23-16-8-10-17(11-9-16)24-12-2-1-3-13-24/h4-11H,1-3,12-13H2/b23-22+.
What are the key properties of (4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene?
(4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene has a molecular weight of 333.36 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylphenyl)-[4-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 71324632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).