1-(4-tert-butyl-2,6-difluorophenyl)piperazine

C14H20F2N2 — CID 164933901

IUPAC1-(4-tert-butyl-2,6-difluorophenyl)piperazine
SMILESCC(C)(C)c1cc(F)c(N2CCNCC2)c(F)c1
InChIInChI=1S/C14H20F2N2/c1-14(2,3)10-8-11(15)13(12(16)9-10)18-6-4-17-5-7-18/h8-9,17H,4-7H2,1-3H3
InChIKeyXNVADSFBMUMQHA-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.67
Rot. Bonds1

About 1-(4-tert-butyl-2,6-difluorophenyl)piperazine

1-(4-tert-butyl-2,6-difluorophenyl)piperazine (PubChem CID 164933901) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-difluorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-difluorophenyl)piperazine
PubChem CID164933901
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(4-tert-butyl-2,6-difluorophenyl)piperazine
SMILESCC(C)(C)c1cc(F)c(N2CCNCC2)c(F)c1
InChIInChI=1S/C14H20F2N2/c1-14(2,3)10-8-11(15)13(12(16)9-10)18-6-4-17-5-7-18/h8-9,17H,4-7H2,1-3H3
InChIKeyXNVADSFBMUMQHA-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-difluorophenyl)piperazine?
The IUPAC name of 1-(4-tert-butyl-2,6-difluorophenyl)piperazine (CID 164933901) is 1-(4-tert-butyl-2,6-difluorophenyl)piperazine.
What is the SMILES notation for 1-(4-tert-butyl-2,6-difluorophenyl)piperazine?
The canonical SMILES for 1-(4-tert-butyl-2,6-difluorophenyl)piperazine is CC(C)(C)c1cc(F)c(N2CCNCC2)c(F)c1.
What is the InChIKey of 1-(4-tert-butyl-2,6-difluorophenyl)piperazine?
The InChIKey is XNVADSFBMUMQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-14(2,3)10-8-11(15)13(12(16)9-10)18-6-4-17-5-7-18/h8-9,17H,4-7H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-2,6-difluorophenyl)piperazine?
1-(4-tert-butyl-2,6-difluorophenyl)piperazine has a molecular weight of 254.32 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-difluorophenyl)piperazine is sourced from PubChem (CID 164933901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).