2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

C16H23F3N2 — CID 64832908

IUPAC2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC(C)C1CN(Cc2ccc(C(F)(F)F)cc2)C(C)CN1
InChIInChI=1S/C16H23F3N2/c1-11(2)15-10-21(12(3)8-20-15)9-13-4-6-14(7-5-13)16(17,18)19/h4-7,11-12,15,20H,8-10H2,1-3H3
InChIKeyQCVQJQNMZRHKDK-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.52
Rot. Bonds3

About 2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 64832908) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID64832908
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCC(C)C1CN(Cc2ccc(C(F)(F)F)cc2)C(C)CN1
InChIInChI=1S/C16H23F3N2/c1-11(2)15-10-21(12(3)8-20-15)9-13-4-6-14(7-5-13)16(17,18)19/h4-7,11-12,15,20H,8-10H2,1-3H3
InChIKeyQCVQJQNMZRHKDK-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 64832908) is 2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine is CC(C)C1CN(Cc2ccc(C(F)(F)F)cc2)C(C)CN1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is QCVQJQNMZRHKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-11(2)15-10-21(12(3)8-20-15)9-13-4-6-14(7-5-13)16(17,18)19/h4-7,11-12,15,20H,8-10H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 300.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 64832908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).