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

C17H26Cl2N2 — CID 64933707

IUPAC1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(c2ccc(Cl)c(Cl)c2)C(C(C)C)CN1
InChIInChI=1S/C17H26Cl2N2/c1-5-17(6-2)11-21(16(10-20-17)12(3)4)13-7-8-14(18)15(19)9-13/h7-9,12,16,20H,5-6,10-11H2,1-4H3
InChIKeyPMFJDIVSVIDVEH-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.99
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine (PubChem CID 64933707) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
PubChem CID64933707
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(c2ccc(Cl)c(Cl)c2)C(C(C)C)CN1
InChIInChI=1S/C17H26Cl2N2/c1-5-17(6-2)11-21(16(10-20-17)12(3)4)13-7-8-14(18)15(19)9-13/h7-9,12,16,20H,5-6,10-11H2,1-4H3
InChIKeyPMFJDIVSVIDVEH-UHFFFAOYSA-N
XLogP4.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.99
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-diethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine (CID 64933707) is 1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine is CCC1(CC)CN(c2ccc(Cl)c(Cl)c2)C(C(C)C)CN1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The InChIKey is PMFJDIVSVIDVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-5-17(6-2)11-21(16(10-20-17)12(3)4)13-7-8-14(18)15(19)9-13/h7-9,12,16,20H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine has a molecular weight of 329.31 g/mol, XLogP of 4.99, 4 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-diethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64933707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).