1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine

C14H20F2N2 — CID 64954077

IUPAC1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(c2ccc(F)cc2F)C(C(C)C)CN1
InChIInChI=1S/C14H20F2N2/c1-9(2)14-7-17-10(3)8-18(14)13-5-4-11(15)6-12(13)16/h4-6,9-10,14,17H,7-8H2,1-3H3
InChIKeyQLMQRLSVSZNIMS-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.79
Rot. Bonds2

About 1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine

1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64954077) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID64954077
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(c2ccc(F)cc2F)C(C(C)C)CN1
InChIInChI=1S/C14H20F2N2/c1-9(2)14-7-17-10(3)8-18(14)13-5-4-11(15)6-12(13)16/h4-6,9-10,14,17H,7-8H2,1-3H3
InChIKeyQLMQRLSVSZNIMS-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953690
1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937159
1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952707
1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64936447
1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937906
1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 107370881
1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64933948
1-(4-fluoro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64932857
1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930047
1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937367
5-methyl-2-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66356270

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine (CID 64954077) is 1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine is CC1CN(c2ccc(F)cc2F)C(C(C)C)CN1.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is QLMQRLSVSZNIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-9(2)14-7-17-10(3)8-18(14)13-5-4-11(15)6-12(13)16/h4-6,9-10,14,17H,7-8H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 254.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64954077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).