[4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate

C17H15ClF3N3O2 — CID 46879827

IUPAC[4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C17H15ClF3N3O2/c18-14-2-1-7-22-15(14)23-8-10-24(11-9-23)16(25)26-13-5-3-12(4-6-13)17(19,20)21/h1-7H,8-11H2
InChIKeyJAWSBANLAJSGJJ-UHFFFAOYSA-N
MW385.77 g/mol
LogP4.07
Rot. Bonds2

About [4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate

[4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate (PubChem CID 46879827) has the molecular formula C17H15ClF3N3O2 and a molecular weight of 385.77 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate
PubChem CID46879827
Molecular FormulaC17H15ClF3N3O2
Molecular Weight385.77 g/mol
Exact Mass385.08
IUPAC Name[4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C17H15ClF3N3O2/c18-14-2-1-7-22-15(14)23-8-10-24(11-9-23)16(25)26-13-5-3-12(4-6-13)17(19,20)21/h1-7H,8-11H2
InChIKeyJAWSBANLAJSGJJ-UHFFFAOYSA-N
XLogP4.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of [4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate (CID 46879827) is [4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate is O=C(Oc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate?
The InChIKey is JAWSBANLAJSGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2/c18-14-2-1-7-22-15(14)23-8-10-24(11-9-23)16(25)26-13-5-3-12(4-6-13)17(19,20)21/h1-7H,8-11H2.
What are the key properties of [4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate?
[4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate has a molecular weight of 385.77 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] 4-(3-chloro-2-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 46879827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).