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

C16H22N4 — CID 80504294

IUPAC[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
SMILESCN1CCN(Cc2ccc3ncccc3c2)C(CN)C1
InChIInChI=1S/C16H22N4/c1-19-7-8-20(15(10-17)12-19)11-13-4-5-16-14(9-13)3-2-6-18-16/h2-6,9,15H,7-8,10-12,17H2,1H3
InChIKeyAIOCCIKVQWHROV-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.31
Rot. Bonds3

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

[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine (PubChem CID 80504294) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
PubChem CID80504294
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
SMILESCN1CCN(Cc2ccc3ncccc3c2)C(CN)C1
InChIInChI=1S/C16H22N4/c1-19-7-8-20(15(10-17)12-19)11-13-4-5-16-14(9-13)3-2-6-18-16/h2-6,9,15H,7-8,10-12,17H2,1H3
InChIKeyAIOCCIKVQWHROV-UHFFFAOYSA-N
XLogP1.31
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
CID 105379017
[1-(quinolin-6-ylmethyl)piperidin-2-yl]methanamine
CID 43209671
[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62062726
[1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80506903
N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581089
4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505171
6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
[1-[(4-bromo-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 81436014
2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
CID 61010277
4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 120908917
3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62469231
2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-2-yl]ethanol
CID 45177358

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine (CID 80504294) is [4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine is CN1CCN(Cc2ccc3ncccc3c2)C(CN)C1.
What is the InChIKey of [4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine?
The InChIKey is AIOCCIKVQWHROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-7-8-20(15(10-17)12-19)11-13-4-5-16-14(9-13)3-2-6-18-16/h2-6,9,15H,7-8,10-12,17H2,1H3.
What are the key properties of [4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine?
[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80504294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).