3-tert-butyl-1-(2,4-dichlorophenyl)piperazine

C14H20Cl2N2 — CID 64925260

IUPAC3-tert-butyl-1-(2,4-dichlorophenyl)piperazine
SMILESCC(C)(C)C1CN(c2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C14H20Cl2N2/c1-14(2,3)13-9-18(7-6-17-13)12-5-4-10(15)8-11(12)16/h4-5,8,13,17H,6-7,9H2,1-3H3
InChIKeyDDUQZSKMWMSMJT-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.82
Rot. Bonds1

About 3-tert-butyl-1-(2,4-dichlorophenyl)piperazine

3-tert-butyl-1-(2,4-dichlorophenyl)piperazine (PubChem CID 64925260) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,4-dichlorophenyl)piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-(2,4-dichlorophenyl)piperazine
PubChem CID64925260
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name3-tert-butyl-1-(2,4-dichlorophenyl)piperazine
SMILESCC(C)(C)C1CN(c2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C14H20Cl2N2/c1-14(2,3)13-9-18(7-6-17-13)12-5-4-10(15)8-11(12)16/h4-5,8,13,17H,6-7,9H2,1-3H3
InChIKeyDDUQZSKMWMSMJT-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-(2,4-dichlorophenyl)piperazine?
The IUPAC name of 3-tert-butyl-1-(2,4-dichlorophenyl)piperazine (CID 64925260) is 3-tert-butyl-1-(2,4-dichlorophenyl)piperazine.
What is the SMILES notation for 3-tert-butyl-1-(2,4-dichlorophenyl)piperazine?
The canonical SMILES for 3-tert-butyl-1-(2,4-dichlorophenyl)piperazine is CC(C)(C)C1CN(c2ccc(Cl)cc2Cl)CCN1.
What is the InChIKey of 3-tert-butyl-1-(2,4-dichlorophenyl)piperazine?
The InChIKey is DDUQZSKMWMSMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-14(2,3)13-9-18(7-6-17-13)12-5-4-10(15)8-11(12)16/h4-5,8,13,17H,6-7,9H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(2,4-dichlorophenyl)piperazine?
3-tert-butyl-1-(2,4-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-(2,4-dichlorophenyl)piperazine is sourced from PubChem (CID 64925260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).