1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine

C15H22F2N2 — CID 82819769

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine
SMILESCc1ccc(F)c(N2CC(C(C)C)NCC2C)c1F
InChIInChI=1S/C15H22F2N2/c1-9(2)13-8-19(11(4)7-18-13)15-12(16)6-5-10(3)14(15)17/h5-6,9,11,13,18H,7-8H2,1-4H3
InChIKeyVPGXBTPLYWBFHN-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.10
Rot. Bonds2

About 1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine

1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine (PubChem CID 82819769) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine
PubChem CID82819769
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine
SMILESCc1ccc(F)c(N2CC(C(C)C)NCC2C)c1F
InChIInChI=1S/C15H22F2N2/c1-9(2)13-8-19(11(4)7-18-13)15-12(16)6-5-10(3)14(15)17/h5-6,9,11,13,18H,7-8H2,1-4H3
InChIKeyVPGXBTPLYWBFHN-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine (CID 82819769) is 1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine is Cc1ccc(F)c(N2CC(C(C)C)NCC2C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is VPGXBTPLYWBFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-9(2)13-8-19(11(4)7-18-13)15-12(16)6-5-10(3)14(15)17/h5-6,9,11,13,18H,7-8H2,1-4H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine?
1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 268.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 82819769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).