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

C15H22F2N2 — CID 64833514

IUPAC1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccc(F)cc2F)C(C)CN1
InChIInChI=1S/C15H22F2N2/c1-10(2)15-9-19(11(3)7-18-15)8-12-4-5-13(16)6-14(12)17/h4-6,10-11,15,18H,7-9H2,1-3H3
InChIKeyZRNPUVXMJQHCQK-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.78
Rot. Bonds3

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

1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine (PubChem CID 64833514) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
PubChem CID64833514
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccc(F)cc2F)C(C)CN1
InChIInChI=1S/C15H22F2N2/c1-10(2)15-9-19(11(3)7-18-15)8-12-4-5-13(16)6-14(12)17/h4-6,10-11,15,18H,7-9H2,1-3H3
InChIKeyZRNPUVXMJQHCQK-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine (CID 64833514) is 1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine is CC(C)C1CN(Cc2ccc(F)cc2F)C(C)CN1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is ZRNPUVXMJQHCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-10(2)15-9-19(11(3)7-18-15)8-12-4-5-13(16)6-14(12)17/h4-6,10-11,15,18H,7-9H2,1-3H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine?
1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 268.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64833514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).