1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C15H22Cl2N2 — CID 64935824

IUPAC1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-10(2)14-8-18-15(3,4)9-19(14)11-5-6-12(16)13(17)7-11/h5-7,10,14,18H,8-9H2,1-4H3
InChIKeyRDJBWIBMIWZVPK-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.21
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64935824) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64935824
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-10(2)14-8-18-15(3,4)9-19(14)11-5-6-12(16)13(17)7-11/h5-7,10,14,18H,8-9H2,1-4H3
InChIKeyRDJBWIBMIWZVPK-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.21
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)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64935824) is 1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C)CN1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is RDJBWIBMIWZVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-10(2)14-8-18-15(3,4)9-19(14)11-5-6-12(16)13(17)7-11/h5-7,10,14,18H,8-9H2,1-4H3.
What are the key properties of 1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 301.26 g/mol, XLogP of 4.21, 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)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64935824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).