(2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C13H18F3N3 — CID 96947194

IUPAC(2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC(C)[C@@H]1CNCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H18F3N3/c1-9(2)11-8-17-5-6-19(11)12-4-3-10(7-18-12)13(14,15)16/h3-4,7,9,11,17H,5-6,8H2,1-2H3/t11-/m0/s1
InChIKeyBJBRFWJCYWZRJW-NSHDSACASA-N
MW273.30 g/mol
LogP2.53
Rot. Bonds2

About (2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

(2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 96947194) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is (2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name(2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID96947194
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name(2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC(C)[C@@H]1CNCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H18F3N3/c1-9(2)11-8-17-5-6-19(11)12-4-3-10(7-18-12)13(14,15)16/h3-4,7,9,11,17H,5-6,8H2,1-2H3/t11-/m0/s1
InChIKeyBJBRFWJCYWZRJW-NSHDSACASA-N
XLogP2.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of (2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 96947194) is (2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for (2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for (2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is CC(C)[C@@H]1CNCCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is BJBRFWJCYWZRJW-NSHDSACASA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9(2)11-8-17-5-6-19(11)12-4-3-10(7-18-12)13(14,15)16/h3-4,7,9,11,17H,5-6,8H2,1-2H3/t11-/m0/s1.
What are the key properties of (2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
(2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 273.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 96947194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).