5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine

C16H22Cl2N2 — CID 64933546

IUPAC5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine
SMILESCC1CNC(C2CC2)CN1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2/c1-11-9-19-16(13-2-3-13)10-20(11)7-6-12-4-5-14(17)8-15(12)18/h4-5,8,11,13,16,19H,2-3,6-7,9-10H2,1H3
InChIKeyRLEDICSSPIUELH-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.61
Rot. Bonds4

About 5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine

5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine (PubChem CID 64933546) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine
PubChem CID64933546
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine
SMILESCC1CNC(C2CC2)CN1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2/c1-11-9-19-16(13-2-3-13)10-20(11)7-6-12-4-5-14(17)8-15(12)18/h4-5,8,11,13,16,19H,2-3,6-7,9-10H2,1H3
InChIKeyRLEDICSSPIUELH-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine (CID 64933546) is 5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine is CC1CNC(C2CC2)CN1CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine?
The InChIKey is RLEDICSSPIUELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c1-11-9-19-16(13-2-3-13)10-20(11)7-6-12-4-5-14(17)8-15(12)18/h4-5,8,11,13,16,19H,2-3,6-7,9-10H2,1H3.
What are the key properties of 5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine?
5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine has a molecular weight of 313.27 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine is sourced from PubChem (CID 64933546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).