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

C14H19F3N2 — CID 64925755

IUPAC3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine
SMILESCC(C)C1CN(c2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C14H19F3N2/c1-10(2)13-9-19(8-7-18-13)12-5-3-11(4-6-12)14(15,16)17/h3-6,10,13,18H,7-9H2,1-2H3
InChIKeyLZFOIQOBOLRVMI-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.14
Rot. Bonds2

About 3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine

3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 64925755) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID64925755
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine
SMILESCC(C)C1CN(c2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C14H19F3N2/c1-10(2)13-9-19(8-7-18-13)12-5-3-11(4-6-12)14(15,16)17/h3-6,10,13,18H,7-9H2,1-2H3
InChIKeyLZFOIQOBOLRVMI-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine (CID 64925755) is 3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine is CC(C)C1CN(c2ccc(C(F)(F)F)cc2)CCN1.
What is the InChIKey of 3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is LZFOIQOBOLRVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-10(2)13-9-19(8-7-18-13)12-5-3-11(4-6-12)14(15,16)17/h3-6,10,13,18H,7-9H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine?
3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 272.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 64925755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).