[4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine

C17H23N3 — CID 114961620

IUPAC[4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine
SMILESCc1cc2ccccc2nc1N1CCC(C)C(CN)C1
InChIInChI=1S/C17H23N3/c1-12-7-8-20(11-15(12)10-18)17-13(2)9-14-5-3-4-6-16(14)19-17/h3-6,9,12,15H,7-8,10-11,18H2,1-2H3
InChIKeyVTXJQIBDOVUDHW-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.96
Rot. Bonds2

About [4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine

[4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine (PubChem CID 114961620) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is [4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine
PubChem CID114961620
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name[4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine
SMILESCc1cc2ccccc2nc1N1CCC(C)C(CN)C1
InChIInChI=1S/C17H23N3/c1-12-7-8-20(11-15(12)10-18)17-13(2)9-14-5-3-4-6-16(14)19-17/h3-6,9,12,15H,7-8,10-11,18H2,1-2H3
InChIKeyVTXJQIBDOVUDHW-UHFFFAOYSA-N
XLogP2.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline
CID 114682615
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol
CID 115733660
[1-[(2-chloroquinolin-3-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961489
[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine
CID 116640310
3-methyl-N-[(2-methylcyclopentyl)methyl]quinolin-2-amine
CID 107419147
N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide
CID 79670680
1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63786167
[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 114961622
2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine
CID 103540590
2-(4-amino-3-ethylpiperidin-1-yl)quinoline-3-carbonitrile
CID 81452578
5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 75384063

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine (CID 114961620) is [4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine is Cc1cc2ccccc2nc1N1CCC(C)C(CN)C1.
What is the InChIKey of [4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine?
The InChIKey is VTXJQIBDOVUDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-7-8-20(11-15(12)10-18)17-13(2)9-14-5-3-4-6-16(14)19-17/h3-6,9,12,15H,7-8,10-11,18H2,1-2H3.
What are the key properties of [4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine?
[4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 114961620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).