3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine

C15H20F3N3 — CID 142253714

IUPAC3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC/C=C/c1ccc(C(F)(F)F)nc1N1CC(C)NC(C)C1
InChIInChI=1S/C15H20F3N3/c1-4-5-12-6-7-13(15(16,17)18)20-14(12)21-8-10(2)19-11(3)9-21/h4-7,10-11,19H,8-9H2,1-3H3/b5-4+
InChIKeyHXMILWSQLAXMGF-SNAWJCMRSA-N
MW299.34 g/mol
LogP3.32
Rot. Bonds2

About 3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine

3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 142253714) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID142253714
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC/C=C/c1ccc(C(F)(F)F)nc1N1CC(C)NC(C)C1
InChIInChI=1S/C15H20F3N3/c1-4-5-12-6-7-13(15(16,17)18)20-14(12)21-8-10(2)19-11(3)9-21/h4-7,10-11,19H,8-9H2,1-3H3/b5-4+
InChIKeyHXMILWSQLAXMGF-SNAWJCMRSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine (CID 142253714) is 3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine is C/C=C/c1ccc(C(F)(F)F)nc1N1CC(C)NC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is HXMILWSQLAXMGF-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-4-5-12-6-7-13(15(16,17)18)20-14(12)21-8-10(2)19-11(3)9-21/h4-7,10-11,19H,8-9H2,1-3H3/b5-4+.
What are the key properties of 3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine?
3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 299.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-[(E)-prop-1-enyl]-6-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 142253714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).