5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline

C17H29N3 — CID 115379341

IUPAC5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline
SMILESCCC1CN(c2ccc(C)c(N(C)C)c2)C(CC)CN1
InChIInChI=1S/C17H29N3/c1-6-14-12-20(15(7-2)11-18-14)16-9-8-13(3)17(10-16)19(4)5/h8-10,14-15,18H,6-7,11-12H2,1-5H3
InChIKeyPCKMZGZPTGBUJH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.03
Rot. Bonds4

About 5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline

5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline (PubChem CID 115379341) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline.

Molecular Properties

Compound Name5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline
PubChem CID115379341
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline
SMILESCCC1CN(c2ccc(C)c(N(C)C)c2)C(CC)CN1
InChIInChI=1S/C17H29N3/c1-6-14-12-20(15(7-2)11-18-14)16-9-8-13(3)17(10-16)19(4)5/h8-10,14-15,18H,6-7,11-12H2,1-5H3
InChIKeyPCKMZGZPTGBUJH-UHFFFAOYSA-N
XLogP3.03
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline?
The IUPAC name of 5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline (CID 115379341) is 5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline.
What is the SMILES notation for 5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline?
The canonical SMILES for 5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline is CCC1CN(c2ccc(C)c(N(C)C)c2)C(CC)CN1.
What is the InChIKey of 5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline?
The InChIKey is PCKMZGZPTGBUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-6-14-12-20(15(7-2)11-18-14)16-9-8-13(3)17(10-16)19(4)5/h8-10,14-15,18H,6-7,11-12H2,1-5H3.
What are the key properties of 5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline?
5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline has a molecular weight of 275.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-diethylpiperazin-1-yl)-N,N,2-trimethylaniline is sourced from PubChem (CID 115379341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).