1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine

C15H22Cl2N2 — CID 64840451

IUPAC1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-4-12-8-18-15(2,3)10-19(12)9-11-5-6-13(16)14(17)7-11/h5-7,12,18H,4,8-10H2,1-3H3
InChIKeyGLEUCIWDPADQDZ-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.96
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine

1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine (PubChem CID 64840451) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
PubChem CID64840451
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-4-12-8-18-15(2,3)10-19(12)9-11-5-6-13(16)14(17)7-11/h5-7,12,18H,4,8-10H2,1-3H3
InChIKeyGLEUCIWDPADQDZ-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine (CID 64840451) is 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is GLEUCIWDPADQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-4-12-8-18-15(2,3)10-19(12)9-11-5-6-13(16)14(17)7-11/h5-7,12,18H,4,8-10H2,1-3H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine?
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 301.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64840451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).