1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine

C16H26ClN3 — CID 115415473

IUPAC1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
SMILESCCNC(CC1CN(C)CCN1C)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-4-18-16(13-6-5-7-14(17)10-13)11-15-12-19(2)8-9-20(15)3/h5-7,10,15-16,18H,4,8-9,11-12H2,1-3H3
InChIKeyDTOPPMOJTYALCQ-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.63
Rot. Bonds5

About 1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine

1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine (PubChem CID 115415473) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
PubChem CID115415473
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
SMILESCCNC(CC1CN(C)CCN1C)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-4-18-16(13-6-5-7-14(17)10-13)11-15-12-19(2)8-9-20(15)3/h5-7,10,15-16,18H,4,8-9,11-12H2,1-3H3
InChIKeyDTOPPMOJTYALCQ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415518
1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 115415275
[2-(1,4-dimethylpiperazin-2-yl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105260096
2-(1,4-dimethylpiperazin-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115415525
1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415115
[1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260290
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 115811982
N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
CID 57173334
N-[1-(2-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 115415648
1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 62630652
1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103538970
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 115415645

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine (CID 115415473) is 1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine is CCNC(CC1CN(C)CCN1C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
The InChIKey is DTOPPMOJTYALCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-18-16(13-6-5-7-14(17)10-13)11-15-12-19(2)8-9-20(15)3/h5-7,10,15-16,18H,4,8-9,11-12H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine?
1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine has a molecular weight of 295.86 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115415473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).