1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine

C16H24Cl2N2 — CID 107310506

IUPAC1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
SMILESCCC1(C)CN(Cc2cccc(Cl)c2Cl)C(C)(C)CN1
InChIInChI=1S/C16H24Cl2N2/c1-5-16(4)11-20(15(2,3)10-19-16)9-12-7-6-8-13(17)14(12)18/h6-8,19H,5,9-11H2,1-4H3
InChIKeyDDAFOSXDTSRCLU-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.35
Rot. Bonds3

About 1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine

1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine (PubChem CID 107310506) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
PubChem CID107310506
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
SMILESCCC1(C)CN(Cc2cccc(Cl)c2Cl)C(C)(C)CN1
InChIInChI=1S/C16H24Cl2N2/c1-5-16(4)11-20(15(2,3)10-19-16)9-12-7-6-8-13(17)14(12)18/h6-8,19H,5,9-11H2,1-4H3
InChIKeyDDAFOSXDTSRCLU-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine (CID 107310506) is 1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine is CCC1(C)CN(Cc2cccc(Cl)c2Cl)C(C)(C)CN1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine?
The InChIKey is DDAFOSXDTSRCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-5-16(4)11-20(15(2,3)10-19-16)9-12-7-6-8-13(17)14(12)18/h6-8,19H,5,9-11H2,1-4H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine?
1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine has a molecular weight of 315.29 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine is sourced from PubChem (CID 107310506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).