1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine

C16H24Cl2N2 — CID 64843790

IUPAC1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(Cc2c(Cl)cccc2Cl)C(C)CN1
InChIInChI=1S/C16H24Cl2N2/c1-11(2)7-13-9-20(12(3)8-19-13)10-14-15(17)5-4-6-16(14)18/h4-6,11-13,19H,7-10H2,1-3H3
InChIKeyFKXAOABSTJMEIO-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.20
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine

1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 64843790) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID64843790
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(Cc2c(Cl)cccc2Cl)C(C)CN1
InChIInChI=1S/C16H24Cl2N2/c1-11(2)7-13-9-20(12(3)8-19-13)10-14-15(17)5-4-6-16(14)18/h4-6,11-13,19H,7-10H2,1-3H3
InChIKeyFKXAOABSTJMEIO-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine (CID 64843790) is 1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine is CC(C)CC1CN(Cc2c(Cl)cccc2Cl)C(C)CN1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is FKXAOABSTJMEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-11(2)7-13-9-20(12(3)8-19-13)10-14-15(17)5-4-6-16(14)18/h4-6,11-13,19H,7-10H2,1-3H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine?
1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 315.29 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64843790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).