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

C17H23N3 — CID 103440529

IUPAC[4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine
SMILESCC1CCN(Cc2ccnc3ccccc23)C(CN)C1
InChIInChI=1S/C17H23N3/c1-13-7-9-20(15(10-13)11-18)12-14-6-8-19-17-5-3-2-4-16(14)17/h2-6,8,13,15H,7,9-12,18H2,1H3
InChIKeyIMSHBWHRIJSQTA-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.79
Rot. Bonds3

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

[4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine (PubChem CID 103440529) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is [4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine
PubChem CID103440529
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name[4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine
SMILESCC1CCN(Cc2ccnc3ccccc23)C(CN)C1
InChIInChI=1S/C17H23N3/c1-13-7-9-20(15(10-13)11-18)12-14-6-8-19-17-5-3-2-4-16(14)17/h2-6,8,13,15H,7,9-12,18H2,1H3
InChIKeyIMSHBWHRIJSQTA-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanamine
CID 103440446
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362
4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline
CID 79232796
[4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine
CID 103440531
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793
4-[[2-(bromomethyl)azepan-1-yl]methyl]quinoline
CID 116638308
1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546140
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol
CID 103440726
4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
CID 106838033
(3aS,9aR)-1-(quinolin-4-ylmethyl)-2,3,3a,4,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocine
CID 110136397
ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate
CID 79232010

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine (CID 103440529) is [4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine is CC1CCN(Cc2ccnc3ccccc23)C(CN)C1.
What is the InChIKey of [4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine?
The InChIKey is IMSHBWHRIJSQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-7-9-20(15(10-13)11-18)12-14-6-8-19-17-5-3-2-4-16(14)17/h2-6,8,13,15H,7,9-12,18H2,1H3.
What are the key properties of [4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine?
[4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103440529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).