2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine

C16H26ClN3 — CID 79658445

IUPAC2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)C1CN(C)CCN1C
InChIInChI=1S/C16H26ClN3/c1-4-18-15(11-13-5-7-14(17)8-6-13)16-12-19(2)9-10-20(16)3/h5-8,15-16,18H,4,9-12H2,1-3H3
InChIKeyCFCJOOVDOWIEMY-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.11
Rot. Bonds5

About 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine

2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine (PubChem CID 79658445) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
PubChem CID79658445
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)C1CN(C)CCN1C
InChIInChI=1S/C16H26ClN3/c1-4-18-15(11-13-5-7-14(17)8-6-13)16-12-19(2)9-10-20(16)3/h5-8,15-16,18H,4,9-12H2,1-3H3
InChIKeyCFCJOOVDOWIEMY-UHFFFAOYSA-N
XLogP2.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79664378
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658825
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 79659440
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79658853
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine
CID 79658524
N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79666373
2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658778
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909
2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658598
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445174
1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine
CID 79659517

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine (CID 79658445) is 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)cc1)C1CN(C)CCN1C.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The InChIKey is CFCJOOVDOWIEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-18-15(11-13-5-7-14(17)8-6-13)16-12-19(2)9-10-20(16)3/h5-8,15-16,18H,4,9-12H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine has a molecular weight of 295.86 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine is sourced from PubChem (CID 79658445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).