3-tert-butyl-1-(2,6-dichlorophenyl)piperazine

C14H20Cl2N2 — CID 65499109

IUPAC3-tert-butyl-1-(2,6-dichlorophenyl)piperazine
SMILESCC(C)(C)C1CN(c2c(Cl)cccc2Cl)CCN1
InChIInChI=1S/C14H20Cl2N2/c1-14(2,3)12-9-18(8-7-17-12)13-10(15)5-4-6-11(13)16/h4-6,12,17H,7-9H2,1-3H3
InChIKeyWEXHMMAGIBXBAK-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.82
Rot. Bonds1

About 3-tert-butyl-1-(2,6-dichlorophenyl)piperazine

3-tert-butyl-1-(2,6-dichlorophenyl)piperazine (PubChem CID 65499109) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,6-dichlorophenyl)piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-(2,6-dichlorophenyl)piperazine
PubChem CID65499109
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name3-tert-butyl-1-(2,6-dichlorophenyl)piperazine
SMILESCC(C)(C)C1CN(c2c(Cl)cccc2Cl)CCN1
InChIInChI=1S/C14H20Cl2N2/c1-14(2,3)12-9-18(8-7-17-12)13-10(15)5-4-6-11(13)16/h4-6,12,17H,7-9H2,1-3H3
InChIKeyWEXHMMAGIBXBAK-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,6-dichlorophenyl)piperazine?
The IUPAC name of 3-tert-butyl-1-(2,6-dichlorophenyl)piperazine (CID 65499109) is 3-tert-butyl-1-(2,6-dichlorophenyl)piperazine.
What is the SMILES notation for 3-tert-butyl-1-(2,6-dichlorophenyl)piperazine?
The canonical SMILES for 3-tert-butyl-1-(2,6-dichlorophenyl)piperazine is CC(C)(C)C1CN(c2c(Cl)cccc2Cl)CCN1.
What is the InChIKey of 3-tert-butyl-1-(2,6-dichlorophenyl)piperazine?
The InChIKey is WEXHMMAGIBXBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-14(2,3)12-9-18(8-7-17-12)13-10(15)5-4-6-11(13)16/h4-6,12,17H,7-9H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(2,6-dichlorophenyl)piperazine?
3-tert-butyl-1-(2,6-dichlorophenyl)piperazine has a molecular weight of 287.23 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,6-dichlorophenyl)piperazine is sourced from PubChem (CID 65499109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).