[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone

C18H23N3O — CID 124690231

IUPAC[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone
SMILESCc1ccc2cccc(C(=O)N3CCC[C@@H](C)[C@@H]3CN)c2n1
InChIInChI=1S/C18H23N3O/c1-12-5-4-10-21(16(12)11-19)18(22)15-7-3-6-14-9-8-13(2)20-17(14)15/h3,6-9,12,16H,4-5,10-11,19H2,1-2H3/t12-,16+/m1/s1
InChIKeyOTSRTFFSCZDPQB-WBMJQRKESA-N
MW297.40 g/mol
LogP2.74
Rot. Bonds2

About [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone

[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone (PubChem CID 124690231) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone.

Molecular Properties

Compound Name[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone
PubChem CID124690231
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone
SMILESCc1ccc2cccc(C(=O)N3CCC[C@@H](C)[C@@H]3CN)c2n1
InChIInChI=1S/C18H23N3O/c1-12-5-4-10-21(16(12)11-19)18(22)15-7-3-6-14-9-8-13(2)20-17(14)15/h3,6-9,12,16H,4-5,10-11,19H2,1-2H3/t12-,16+/m1/s1
InChIKeyOTSRTFFSCZDPQB-WBMJQRKESA-N
XLogP2.74
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone?
The IUPAC name of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone (CID 124690231) is [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone.
What is the SMILES notation for [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone?
The canonical SMILES for [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone is Cc1ccc2cccc(C(=O)N3CCC[C@@H](C)[C@@H]3CN)c2n1.
What is the InChIKey of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone?
The InChIKey is OTSRTFFSCZDPQB-WBMJQRKESA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-5-4-10-21(16(12)11-19)18(22)15-7-3-6-14-9-8-13(2)20-17(14)15/h3,6-9,12,16H,4-5,10-11,19H2,1-2H3/t12-,16+/m1/s1.
What are the key properties of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone?
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methylquinolin-8-yl)methanone is sourced from PubChem (CID 124690231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).