N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline

C18H31N3 — CID 64941181

IUPACN,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline
SMILESCCN(CC)c1ccc(N2CC(C)(CC)NCC2C)cc1
InChIInChI=1S/C18H31N3/c1-6-18(5)14-21(15(4)13-19-18)17-11-9-16(10-12-17)20(7-2)8-3/h9-12,15,19H,6-8,13-14H2,1-5H3
InChIKeyZDPGSLPQHJJMKW-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.50
Rot. Bonds5

About N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline

N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline (PubChem CID 64941181) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline
PubChem CID64941181
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline
SMILESCCN(CC)c1ccc(N2CC(C)(CC)NCC2C)cc1
InChIInChI=1S/C18H31N3/c1-6-18(5)14-21(15(4)13-19-18)17-11-9-16(10-12-17)20(7-2)8-3/h9-12,15,19H,6-8,13-14H2,1-5H3
InChIKeyZDPGSLPQHJJMKW-UHFFFAOYSA-N
XLogP3.50
TPSA18.51 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline?
The IUPAC name of N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline (CID 64941181) is N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline.
What is the SMILES notation for N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline?
The canonical SMILES for N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline is CCN(CC)c1ccc(N2CC(C)(CC)NCC2C)cc1.
What is the InChIKey of N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline?
The InChIKey is ZDPGSLPQHJJMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-18(5)14-21(15(4)13-19-18)17-11-9-16(10-12-17)20(7-2)8-3/h9-12,15,19H,6-8,13-14H2,1-5H3.
What are the key properties of N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline?
N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline has a molecular weight of 289.47 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(5-ethyl-2,5-dimethylpiperazin-1-yl)aniline is sourced from PubChem (CID 64941181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).