1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine

C13H18F2N2 — CID 84701977

IUPAC1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
SMILESCc1ccc(C(F)F)c(CN2CCNCC2)c1
InChIInChI=1S/C13H18F2N2/c1-10-2-3-12(13(14)15)11(8-10)9-17-6-4-16-5-7-17/h2-3,8,13,16H,4-7,9H2,1H3
InChIKeyKDLSGBPKZBDAEY-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.34
Rot. Bonds3

About 1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine

1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine (PubChem CID 84701977) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
PubChem CID84701977
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
SMILESCc1ccc(C(F)F)c(CN2CCNCC2)c1
InChIInChI=1S/C13H18F2N2/c1-10-2-3-12(13(14)15)11(8-10)9-17-6-4-16-5-7-17/h2-3,8,13,16H,4-7,9H2,1H3
InChIKeyKDLSGBPKZBDAEY-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine
CID 117406204
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine
CID 117429093
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine
CID 117461783
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
1-[[5-methyl-2-(2-methylpropylsulfanyl)phenyl]methyl]piperazine
CID 82265042
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine?
The IUPAC name of 1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine (CID 84701977) is 1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine is Cc1ccc(C(F)F)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine?
The InChIKey is KDLSGBPKZBDAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-10-2-3-12(13(14)15)11(8-10)9-17-6-4-16-5-7-17/h2-3,8,13,16H,4-7,9H2,1H3.
What are the key properties of 1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine?
1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine has a molecular weight of 240.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine is sourced from PubChem (CID 84701977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).