2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline

C16H25N3 — CID 54945544

IUPAC2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1CCN1CCNCC1
InChIInChI=1S/C16H25N3/c1-14-6-7-15-4-2-3-5-16(15)19(14)13-12-18-10-8-17-9-11-18/h2-5,14,17H,6-13H2,1H3
InChIKeyTWEHEIVBZUEJJU-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.73
Rot. Bonds3

About 2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline

2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline (PubChem CID 54945544) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline
PubChem CID54945544
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1CCN1CCNCC1
InChIInChI=1S/C16H25N3/c1-14-6-7-15-4-2-3-5-16(15)19(14)13-12-18-10-8-17-9-11-18/h2-5,14,17H,6-13H2,1H3
InChIKeyTWEHEIVBZUEJJU-UHFFFAOYSA-N
XLogP1.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline
CID 62211993
1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
CID 28704454
2-methyl-1-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 62372829
2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline
CID 79319370
1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline
CID 61396775
2-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
CID 63716022
2-methyl-1-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-quinoline
CID 43199526
2-methyl-1-[(3-methylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline
CID 102775515
1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693452
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 95906955
1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693456
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 111539101

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline (CID 54945544) is 2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline is CC1CCc2ccccc2N1CCN1CCNCC1.
What is the InChIKey of 2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is TWEHEIVBZUEJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-14-6-7-15-4-2-3-5-16(15)19(14)13-12-18-10-8-17-9-11-18/h2-5,14,17H,6-13H2,1H3.
What are the key properties of 2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline?
2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 259.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 54945544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).