1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine

C16H25ClN2 — CID 64948195

IUPAC1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2/c1-5-15-10-18-16(3,4)11-19(15)12(2)13-6-8-14(17)9-7-13/h6-9,12,15,18H,5,10-11H2,1-4H3
InChIKeyRHMJCHRYNSHMCZ-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.86
Rot. Bonds3

About 1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine

1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine (PubChem CID 64948195) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine
PubChem CID64948195
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2/c1-5-15-10-18-16(3,4)11-19(15)12(2)13-6-8-14(17)9-7-13/h6-9,12,15,18H,5,10-11H2,1-4H3
InChIKeyRHMJCHRYNSHMCZ-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine (CID 64948195) is 1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1C(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is RHMJCHRYNSHMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-5-15-10-18-16(3,4)11-19(15)12(2)13-6-8-14(17)9-7-13/h6-9,12,15,18H,5,10-11H2,1-4H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine?
1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 280.84 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64948195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).