1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine

C17H28ClN3 — CID 63635659

IUPAC1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine
SMILESCCN1CCN(CCC(NC)c2ccccc2Cl)CC1C
InChIInChI=1S/C17H28ClN3/c1-4-21-12-11-20(13-14(21)2)10-9-17(19-3)15-7-5-6-8-16(15)18/h5-8,14,17,19H,4,9-13H2,1-3H3
InChIKeyOHTNPECSJILNRW-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.02
Rot. Bonds6

About 1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine

1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine (PubChem CID 63635659) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine
PubChem CID63635659
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine
SMILESCCN1CCN(CCC(NC)c2ccccc2Cl)CC1C
InChIInChI=1S/C17H28ClN3/c1-4-21-12-11-20(13-14(21)2)10-9-17(19-3)15-7-5-6-8-16(15)18/h5-8,14,17,19H,4,9-13H2,1-3H3
InChIKeyOHTNPECSJILNRW-UHFFFAOYSA-N
XLogP3.02
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635128
1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102886573
1-(2-chlorophenyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103539176
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 63635824
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol
CID 114682044
[1-[3-(2-chlorophenyl)-3-(methylamino)propyl]azepan-2-yl]methanol
CID 116638092
1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine
CID 63611043
(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 95602478
2-(2,3-dichlorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63610122

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine (CID 63635659) is 1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine is CCN1CCN(CCC(NC)c2ccccc2Cl)CC1C.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine?
The InChIKey is OHTNPECSJILNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-4-21-12-11-20(13-14(21)2)10-9-17(19-3)15-7-5-6-8-16(15)18/h5-8,14,17,19H,4,9-13H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine?
1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 63635659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).