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

C14H20Cl2N2 — CID 64844520

IUPAC1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCC1CN(Cc2ccc(Cl)c(Cl)c2)C(C)(C)CN1
InChIInChI=1S/C14H20Cl2N2/c1-10-7-18(14(2,3)9-17-10)8-11-4-5-12(15)13(16)6-11/h4-6,10,17H,7-9H2,1-3H3
InChIKeyZHBOAXRWHLYBCW-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.57
Rot. Bonds2

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

1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine (PubChem CID 64844520) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine
PubChem CID64844520
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCC1CN(Cc2ccc(Cl)c(Cl)c2)C(C)(C)CN1
InChIInChI=1S/C14H20Cl2N2/c1-10-7-18(14(2,3)9-17-10)8-11-4-5-12(15)13(16)6-11/h4-6,10,17H,7-9H2,1-3H3
InChIKeyZHBOAXRWHLYBCW-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.57
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]-2,2,5-trimethylpiperazine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine (CID 64844520) is 1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine is CC1CN(Cc2ccc(Cl)c(Cl)c2)C(C)(C)CN1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine?
The InChIKey is ZHBOAXRWHLYBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-10-7-18(14(2,3)9-17-10)8-11-4-5-12(15)13(16)6-11/h4-6,10,17H,7-9H2,1-3H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine?
1-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethylpiperazine has a molecular weight of 287.23 g/mol, XLogP of 3.57, 2 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]-2,2,5-trimethylpiperazine is sourced from PubChem (CID 64844520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).