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

C17H26Cl2N2 — CID 64934872

IUPAC1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(c2cc(Cl)cc(Cl)c2)C(C(C)C)CN1
InChIInChI=1S/C17H26Cl2N2/c1-5-17(6-2)11-21(16(10-20-17)12(3)4)15-8-13(18)7-14(19)9-15/h7-9,12,16,20H,5-6,10-11H2,1-4H3
InChIKeyVTKMNHNZAOYETF-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.99
Rot. Bonds4

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

1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine (PubChem CID 64934872) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
PubChem CID64934872
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(c2cc(Cl)cc(Cl)c2)C(C(C)C)CN1
InChIInChI=1S/C17H26Cl2N2/c1-5-17(6-2)11-21(16(10-20-17)12(3)4)15-8-13(18)7-14(19)9-15/h7-9,12,16,20H,5-6,10-11H2,1-4H3
InChIKeyVTKMNHNZAOYETF-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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Related Compounds

1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64933707
5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine
CID 64931417
1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64942138
1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 66255685
4-(4-chlorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934091
1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342
1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935824
2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64930564
1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64935066
5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64942397
1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64935637
1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine
CID 64934480

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine (CID 64934872) is 1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine is CCC1(CC)CN(c2cc(Cl)cc(Cl)c2)C(C(C)C)CN1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The InChIKey is VTKMNHNZAOYETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-5-17(6-2)11-21(16(10-20-17)12(3)4)15-8-13(18)7-14(19)9-15/h7-9,12,16,20H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
1-(3,5-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-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64934872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).