3-(2,5,5-trimethylpiperazin-1-yl)quinoline

C16H21N3 — CID 64939799

IUPAC3-(2,5,5-trimethylpiperazin-1-yl)quinoline
SMILESCC1CNC(C)(C)CN1c1cnc2ccccc2c1
InChIInChI=1S/C16H21N3/c1-12-9-18-16(2,3)11-19(12)14-8-13-6-4-5-7-15(13)17-10-14/h4-8,10,12,18H,9,11H2,1-3H3
InChIKeyCHMGJJSUWKOHGN-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.81
Rot. Bonds1

About 3-(2,5,5-trimethylpiperazin-1-yl)quinoline

3-(2,5,5-trimethylpiperazin-1-yl)quinoline (PubChem CID 64939799) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-(2,5,5-trimethylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name3-(2,5,5-trimethylpiperazin-1-yl)quinoline
PubChem CID64939799
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-(2,5,5-trimethylpiperazin-1-yl)quinoline
SMILESCC1CNC(C)(C)CN1c1cnc2ccccc2c1
InChIInChI=1S/C16H21N3/c1-12-9-18-16(2,3)11-19(12)14-8-13-6-4-5-7-15(13)17-10-14/h4-8,10,12,18H,9,11H2,1-3H3
InChIKeyCHMGJJSUWKOHGN-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5,5-trimethylpiperazin-1-yl)quinoline?
The IUPAC name of 3-(2,5,5-trimethylpiperazin-1-yl)quinoline (CID 64939799) is 3-(2,5,5-trimethylpiperazin-1-yl)quinoline.
What is the SMILES notation for 3-(2,5,5-trimethylpiperazin-1-yl)quinoline?
The canonical SMILES for 3-(2,5,5-trimethylpiperazin-1-yl)quinoline is CC1CNC(C)(C)CN1c1cnc2ccccc2c1.
What is the InChIKey of 3-(2,5,5-trimethylpiperazin-1-yl)quinoline?
The InChIKey is CHMGJJSUWKOHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-9-18-16(2,3)11-19(12)14-8-13-6-4-5-7-15(13)17-10-14/h4-8,10,12,18H,9,11H2,1-3H3.
What are the key properties of 3-(2,5,5-trimethylpiperazin-1-yl)quinoline?
3-(2,5,5-trimethylpiperazin-1-yl)quinoline has a molecular weight of 255.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5,5-trimethylpiperazin-1-yl)quinoline is sourced from PubChem (CID 64939799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).