3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline

C17H29N3 — CID 115379254

IUPAC3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCCCC1CN(c2cccc(N(C)C)c2)C(CC)CN1
InChIInChI=1S/C17H29N3/c1-5-8-14-13-20(15(6-2)12-18-14)17-10-7-9-16(11-17)19(3)4/h7,9-11,14-15,18H,5-6,8,12-13H2,1-4H3
InChIKeyXUQFAGAKGNPSPQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.11
Rot. Bonds5

About 3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline

3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline (PubChem CID 115379254) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline
PubChem CID115379254
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCCCC1CN(c2cccc(N(C)C)c2)C(CC)CN1
InChIInChI=1S/C17H29N3/c1-5-8-14-13-20(15(6-2)12-18-14)17-10-7-9-16(11-17)19(3)4/h7,9-11,14-15,18H,5-6,8,12-13H2,1-4H3
InChIKeyXUQFAGAKGNPSPQ-UHFFFAOYSA-N
XLogP3.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(3-propan-2-ylphenyl)-5-propylpiperazine
CID 64933250
2-ethyl-5-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64930985
1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
CID 64930823
4-(2,5-diethylpiperazin-1-yl)-N,N-dimethylaniline
CID 64934847
N,N-dimethyl-3-(2,5,5-triethylpiperazin-1-yl)aniline
CID 115379242
1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine
CID 107579958
3-(2,5-diethylpiperazin-1-yl)benzonitrile
CID 102819056
5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline
CID 115379341
1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine
CID 82758286
2-ethyl-5-propyl-1-(2-propylphenyl)piperazine
CID 64946303
2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine
CID 64934538
4-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 64936346

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline (CID 115379254) is 3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline is CCCC1CN(c2cccc(N(C)C)c2)C(CC)CN1.
What is the InChIKey of 3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline?
The InChIKey is XUQFAGAKGNPSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-8-14-13-20(15(6-2)12-18-14)17-10-7-9-16(11-17)19(3)4/h7,9-11,14-15,18H,5-6,8,12-13H2,1-4H3.
What are the key properties of 3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline?
3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline has a molecular weight of 275.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 115379254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).