6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline

C16H21N3 — CID 116997360

IUPAC6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline
SMILESCN1CCNCC1CCc1ccc2ncccc2c1
InChIInChI=1S/C16H21N3/c1-19-10-9-17-12-15(19)6-4-13-5-7-16-14(11-13)3-2-8-18-16/h2-3,5,7-8,11,15,17H,4,6,9-10,12H2,1H3
InChIKeyKATOMOFVGOHQSM-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.07
Rot. Bonds3

About 6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline

6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline (PubChem CID 116997360) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline
PubChem CID116997360
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline
SMILESCN1CCNCC1CCc1ccc2ncccc2c1
InChIInChI=1S/C16H21N3/c1-19-10-9-17-12-15(19)6-4-13-5-7-16-14(11-13)3-2-8-18-16/h2-3,5,7-8,11,15,17H,4,6,9-10,12H2,1H3
InChIKeyKATOMOFVGOHQSM-UHFFFAOYSA-N
XLogP2.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(2-naphthalen-2-ylethyl)piperazine
CID 116928404
6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline
CID 86344482
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
6-[2-(oxiran-2-yl)ethyl]quinoline
CID 130239361
1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile
CID 79086115
(2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 128810991
N-methyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 43607729
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
CID 103885682
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
6-[(3-propylpiperazin-1-yl)methyl]quinoline
CID 64833799

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline?
The IUPAC name of 6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline (CID 116997360) is 6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline.
What is the SMILES notation for 6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline?
The canonical SMILES for 6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline is CN1CCNCC1CCc1ccc2ncccc2c1.
What is the InChIKey of 6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline?
The InChIKey is KATOMOFVGOHQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-10-9-17-12-15(19)6-4-13-5-7-16-14(11-13)3-2-8-18-16/h2-3,5,7-8,11,15,17H,4,6,9-10,12H2,1H3.
What are the key properties of 6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline?
6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline has a molecular weight of 255.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline is sourced from PubChem (CID 116997360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).