2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine

C18H31N3 — CID 63609680

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(N)C(C)N2CCN(C)C(CC)C2)cc1
InChIInChI=1S/C18H31N3/c1-5-15-7-9-16(10-8-15)18(19)14(3)21-12-11-20(4)17(6-2)13-21/h7-10,14,17-18H,5-6,11-13,19H2,1-4H3
InChIKeyRPLMPXKVJFUNST-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.66
Rot. Bonds5

About 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine

2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine (PubChem CID 63609680) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine
PubChem CID63609680
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(N)C(C)N2CCN(C)C(CC)C2)cc1
InChIInChI=1S/C18H31N3/c1-5-15-7-9-16(10-8-15)18(19)14(3)21-12-11-20(4)17(6-2)13-21/h7-10,14,17-18H,5-6,11-13,19H2,1-4H3
InChIKeyRPLMPXKVJFUNST-UHFFFAOYSA-N
XLogP2.66
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine
CID 63610693
2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177
4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol
CID 82980555
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
2-(3,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979576
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
CID 63605560
2-(3-chlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63603993
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473
1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 63605563
3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine
CID 79409074
2-(2,3-dichlorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63608922
2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 114843183

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine (CID 63609680) is 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine is CCc1ccc(C(N)C(C)N2CCN(C)C(CC)C2)cc1.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine?
The InChIKey is RPLMPXKVJFUNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-15-7-9-16(10-8-15)18(19)14(3)21-12-11-20(4)17(6-2)13-21/h7-10,14,17-18H,5-6,11-13,19H2,1-4H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine?
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine is sourced from PubChem (CID 63609680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).