[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine

C17H24N4 — CID 105379017

IUPAC[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
SMILESCc1ccc2cc(CN3CCN(C)CC3CN)ccc2n1
InChIInChI=1S/C17H24N4/c1-13-3-5-15-9-14(4-6-17(15)19-13)11-21-8-7-20(2)12-16(21)10-18/h3-6,9,16H,7-8,10-12,18H2,1-2H3
InChIKeyWJFJCKKCJWZKTN-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.62
Rot. Bonds3

About [4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine

[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine (PubChem CID 105379017) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is [4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
PubChem CID105379017
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
SMILESCc1ccc2cc(CN3CCN(C)CC3CN)ccc2n1
InChIInChI=1S/C17H24N4/c1-13-3-5-15-9-14(4-6-17(15)19-13)11-21-8-7-20(2)12-16(21)10-18/h3-6,9,16H,7-8,10-12,18H2,1-2H3
InChIKeyWJFJCKKCJWZKTN-UHFFFAOYSA-N
XLogP1.62
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
CID 80504294
[1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120841918
[4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine
CID 80505367
[4-methyl-1-[(2-methylquinolin-4-yl)methyl]piperazin-2-yl]methanamine
CID 80503449
[1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80506903
4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505171
(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one
CID 99826047
[1-[(4-chloro-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80504679
[1-[(4-bromo-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 81436014
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine
CID 80504637
4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909674
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine
CID 80505800

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine (CID 105379017) is [4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine is Cc1ccc2cc(CN3CCN(C)CC3CN)ccc2n1.
What is the InChIKey of [4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine?
The InChIKey is WJFJCKKCJWZKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-3-5-15-9-14(4-6-17(15)19-13)11-21-8-7-20(2)12-16(21)10-18/h3-6,9,16H,7-8,10-12,18H2,1-2H3.
What are the key properties of [4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine?
[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine has a molecular weight of 284.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine is sourced from PubChem (CID 105379017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).