1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

C17H15ClF3N3O2 — CID 18266686

IUPAC1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15ClF3N3O2/c18-13-2-1-3-14(11-13)22-6-8-23(9-7-22)15-5-4-12(17(19,20)21)10-16(15)24(25)26/h1-5,10-11H,6-9H2
InChIKeyDNIREJHVFWESQF-UHFFFAOYSA-N
MW385.77 g/mol
LogP4.59
Rot. Bonds3

About 1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine (PubChem CID 18266686) has the molecular formula C17H15ClF3N3O2 and a molecular weight of 385.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
PubChem CID18266686
Molecular FormulaC17H15ClF3N3O2
Molecular Weight385.77 g/mol
Exact Mass385.08
IUPAC Name1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15ClF3N3O2/c18-13-2-1-3-14(11-13)22-6-8-23(9-7-22)15-5-4-12(17(19,20)21)10-16(15)24(25)26/h1-5,10-11H,6-9H2
InChIKeyDNIREJHVFWESQF-UHFFFAOYSA-N
XLogP4.59
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine
CID 160638927
1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine
CID 2775753
3-nitro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzenesulfonamide
CID 4841617
1-[2-nitro-4-(trifluoromethyl)phenyl]azonane
CID 58180864
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 31976775
3-nitro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
CID 3604633
2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 4811422
1-[3-nitro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 15998526
4-[2-nitro-4-(trifluoromethyl)phenyl]thiomorpholine
CID 2732236
1-[2-nitro-4-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 91214291
1,4-bis(4-chloro-2-nitrophenyl)piperazine
CID 3930844
1-[(E)-3-chloroprop-2-enyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
CID 78832653

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine (CID 18266686) is 1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine is O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is DNIREJHVFWESQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2/c18-13-2-1-3-14(11-13)22-6-8-23(9-7-22)15-5-4-12(17(19,20)21)10-16(15)24(25)26/h1-5,10-11H,6-9H2.
What are the key properties of 1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 385.77 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 18266686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).