4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline

C16H27N3 — CID 64934847

IUPAC4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCCC1CN(c2ccc(N(C)C)cc2)C(CC)CN1
InChIInChI=1S/C16H27N3/c1-5-13-12-19(14(6-2)11-17-13)16-9-7-15(8-10-16)18(3)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyXIGDQJKYGHWDOS-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.72
Rot. Bonds4

About 4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline

4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline (PubChem CID 64934847) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline
PubChem CID64934847
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCCC1CN(c2ccc(N(C)C)cc2)C(CC)CN1
InChIInChI=1S/C16H27N3/c1-5-13-12-19(14(6-2)11-17-13)16-9-7-15(8-10-16)18(3)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyXIGDQJKYGHWDOS-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.72
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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Related Compounds

4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 64936346
4-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylaniline
CID 64933884
5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline
CID 115379341
3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline
CID 115379254
3-(2,5-diethylpiperazin-1-yl)benzonitrile
CID 102819056
2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine
CID 107586938
1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
CID 64930823
1-(2,5-dimethylphenyl)-2,5-diethylpiperazine
CID 64931944
2,5-diethyl-1-naphthalen-1-ylpiperazine
CID 64931957
2,5-diethyl-1-(5-methyl-2-pyridinyl)piperazine
CID 64979037
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
CID 64936947

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline (CID 64934847) is 4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline is CCC1CN(c2ccc(N(C)C)cc2)C(CC)CN1.
What is the InChIKey of 4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline?
The InChIKey is XIGDQJKYGHWDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-13-12-19(14(6-2)11-17-13)16-9-7-15(8-10-16)18(3)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3.
What are the key properties of 4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline?
4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline has a molecular weight of 261.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 64934847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).