2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline

C16H21N3 — CID 105379000

IUPAC2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline
SMILESCc1ccc2cc(CN3CCNC(C)C3)ccc2n1
InChIInChI=1S/C16H21N3/c1-12-3-5-15-9-14(4-6-16(15)18-12)11-19-8-7-17-13(2)10-19/h3-6,9,13,17H,7-8,10-11H2,1-2H3
InChIKeyHJTKFJYFBNLDMI-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.34
Rot. Bonds2

About 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline

2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline (PubChem CID 105379000) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline
PubChem CID105379000
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline
SMILESCc1ccc2cc(CN3CCNC(C)C3)ccc2n1
InChIInChI=1S/C16H21N3/c1-12-3-5-15-9-14(4-6-16(15)18-12)11-19-8-7-17-13(2)10-19/h3-6,9,13,17H,7-8,10-11H2,1-2H3
InChIKeyHJTKFJYFBNLDMI-UHFFFAOYSA-N
XLogP2.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
CID 170707754
6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
CID 103885682
2-methyl-6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole
CID 120845855
N-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidin-3-amine
CID 105378976
4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909674
6-[(3-methoxypiperidin-1-yl)methyl]-2-methylquinoline
CID 126778484
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386
1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844613
4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
CID 105379675
(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline (CID 105379000) is 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline is Cc1ccc2cc(CN3CCNC(C)C3)ccc2n1.
What is the InChIKey of 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline?
The InChIKey is HJTKFJYFBNLDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-3-5-15-9-14(4-6-16(15)18-12)11-19-8-7-17-13(2)10-19/h3-6,9,13,17H,7-8,10-11H2,1-2H3.
What are the key properties of 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline?
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline has a molecular weight of 255.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3-methylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 105379000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).