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

C14H20Cl2N2 — CID 114079692

IUPAC1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine
SMILESCC(c1cccc(Cl)c1Cl)N1CCNCC1(C)C
InChIInChI=1S/C14H20Cl2N2/c1-10(11-5-4-6-12(15)13(11)16)18-8-7-17-9-14(18,2)3/h4-6,10,17H,7-9H2,1-3H3
InChIKeyFPHJHIAMKRPYGX-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.74
Rot. Bonds2

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

1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine (PubChem CID 114079692) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine
PubChem CID114079692
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine
SMILESCC(c1cccc(Cl)c1Cl)N1CCNCC1(C)C
InChIInChI=1S/C14H20Cl2N2/c1-10(11-5-4-6-12(15)13(11)16)18-8-7-17-9-14(18,2)3/h4-6,10,17H,7-9H2,1-3H3
InChIKeyFPHJHIAMKRPYGX-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine (CID 114079692) is 1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine is CC(c1cccc(Cl)c1Cl)N1CCNCC1(C)C.
What is the InChIKey of 1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine?
The InChIKey is FPHJHIAMKRPYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-10(11-5-4-6-12(15)13(11)16)18-8-7-17-9-14(18,2)3/h4-6,10,17H,7-9H2,1-3H3.
What are the key properties of 1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine?
1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine has a molecular weight of 287.23 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dichlorophenyl)ethyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 114079692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).