1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine

C17H26Cl2N2 — CID 64850040

IUPAC1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(Cc2ccc(Cl)cc2Cl)C(C)(CC)CN1
InChIInChI=1S/C17H26Cl2N2/c1-5-16(3)12-21(17(4,6-2)11-20-16)10-13-7-8-14(18)9-15(13)19/h7-9,20H,5-6,10-12H2,1-4H3
InChIKeyCGPNDDUKSSIZJV-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.74
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine

1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine (PubChem CID 64850040) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
PubChem CID64850040
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(Cc2ccc(Cl)cc2Cl)C(C)(CC)CN1
InChIInChI=1S/C17H26Cl2N2/c1-5-16(3)12-21(17(4,6-2)11-20-16)10-13-7-8-14(18)9-15(13)19/h7-9,20H,5-6,10-12H2,1-4H3
InChIKeyCGPNDDUKSSIZJV-UHFFFAOYSA-N
XLogP4.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine (CID 64850040) is 1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine is CCC1(C)CN(Cc2ccc(Cl)cc2Cl)C(C)(CC)CN1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine?
The InChIKey is CGPNDDUKSSIZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-5-16(3)12-21(17(4,6-2)11-20-16)10-13-7-8-14(18)9-15(13)19/h7-9,20H,5-6,10-12H2,1-4H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine?
1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine has a molecular weight of 329.31 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64850040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).