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

C16H22Cl2N2 — CID 64934102

IUPAC5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2/c1-3-13-9-19-16(2,11-4-5-11)10-20(13)15-7-6-12(17)8-14(15)18/h6-8,11,13,19H,3-5,9-10H2,1-2H3
InChIKeyFSGPBUQAFZVPAK-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.35
Rot. Bonds3

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

5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine (PubChem CID 64934102) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine
PubChem CID64934102
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl2N2/c1-3-13-9-19-16(2,11-4-5-11)10-20(13)15-7-6-12(17)8-14(15)18/h6-8,11,13,19H,3-5,9-10H2,1-2H3
InChIKeyFSGPBUQAFZVPAK-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-(2,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 64934485
5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64933328
1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64934912
1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 107617330
1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64935659
1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine
CID 107640012
1-(2,5-dichlorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64935058
1-(5-chloro-2-fluorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64934161
5-cyclopropyl-2-ethyl-5-methyl-1-(2-propylphenyl)piperazine
CID 64945723
5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine
CID 64932628
1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine
CID 64934480
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-5,5-dimethylpiperazine
CID 64941408

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine (CID 64934102) is 5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine is CCC1CNC(C)(C2CC2)CN1c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine?
The InChIKey is FSGPBUQAFZVPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c1-3-13-9-19-16(2,11-4-5-11)10-20(13)15-7-6-12(17)8-14(15)18/h6-8,11,13,19H,3-5,9-10H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine?
5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine has a molecular weight of 313.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine is sourced from PubChem (CID 64934102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).