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

C16H25ClN2 — CID 64934390

IUPAC1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(CCc2ccc(Cl)cc2)C(C)CN1
InChIInChI=1S/C16H25ClN2/c1-4-16(3)12-19(13(2)11-18-16)10-9-14-5-7-15(17)8-6-14/h5-8,13,18H,4,9-12H2,1-3H3
InChIKeyYGERCBOBSVSMMC-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.34
Rot. Bonds4

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

1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine (PubChem CID 64934390) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine
PubChem CID64934390
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(CCc2ccc(Cl)cc2)C(C)CN1
InChIInChI=1S/C16H25ClN2/c1-4-16(3)12-19(13(2)11-18-16)10-9-14-5-7-15(17)8-6-14/h5-8,13,18H,4,9-12H2,1-3H3
InChIKeyYGERCBOBSVSMMC-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine (CID 64934390) is 1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine is CCC1(C)CN(CCc2ccc(Cl)cc2)C(C)CN1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine?
The InChIKey is YGERCBOBSVSMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-16(3)12-19(13(2)11-18-16)10-9-14-5-7-15(17)8-6-14/h5-8,13,18H,4,9-12H2,1-3H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine?
1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine has a molecular weight of 280.84 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64934390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).