2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine

C17H23N3 — CID 63767577

IUPAC2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine
SMILESCc1cc(N2CCCCC2CCN)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-13-12-17(15-7-2-3-8-16(15)19-13)20-11-5-4-6-14(20)9-10-18/h2-3,7-8,12,14H,4-6,9-11,18H2,1H3
InChIKeyXKLARCUUOUNRQZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.25
Rot. Bonds3

About 2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine

2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine (PubChem CID 63767577) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine
PubChem CID63767577
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine
SMILESCc1cc(N2CCCCC2CCN)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-13-12-17(15-7-2-3-8-16(15)19-13)20-11-5-4-6-14(20)9-10-18/h2-3,7-8,12,14H,4-6,9-11,18H2,1H3
InChIKeyXKLARCUUOUNRQZ-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methylquinolin-4-yl)piperidin-2-yl]methanol
CID 60716376
4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 55184612
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63767587
2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine
CID 63767576
2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline
CID 63445345
2-[1-(2-chlorophenyl)piperidin-2-yl]ethanamine
CID 82388545
4-(2-ethylpiperazin-1-yl)-2-methylquinoline
CID 63602882
2-[1-(2-methoxyphenyl)piperidin-2-yl]ethanamine
CID 82389615
[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 69305279
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
2-[1-(6-methylpyridazin-3-yl)piperidin-2-yl]ethanamine
CID 63655181
[(2S)-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-2-yl]methanol;dihydrochloride
CID 122509335

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine (CID 63767577) is 2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine is Cc1cc(N2CCCCC2CCN)c2ccccc2n1.
What is the InChIKey of 2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine?
The InChIKey is XKLARCUUOUNRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-12-17(15-7-2-3-8-16(15)19-13)20-11-5-4-6-14(20)9-10-18/h2-3,7-8,12,14H,4-6,9-11,18H2,1H3.
What are the key properties of 2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine?
2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylquinolin-4-yl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 63767577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).