(4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone

C16H23N3O — CID 82584464

IUPAC(4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESCc1ccc2c(c1)C(C(=O)N1CCC(N)CC1)CNC2
InChIInChI=1S/C16H23N3O/c1-11-2-3-12-9-18-10-15(14(12)8-11)16(20)19-6-4-13(17)5-7-19/h2-3,8,13,15,18H,4-7,9-10,17H2,1H3
InChIKeyXSUPYIZUHXBKOA-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.13
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone

(4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (PubChem CID 82584464) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
PubChem CID82584464
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
SMILESCc1ccc2c(c1)C(C(=O)N1CCC(N)CC1)CNC2
InChIInChI=1S/C16H23N3O/c1-11-2-3-12-9-18-10-15(14(12)8-11)16(20)19-6-4-13(17)5-7-19/h2-3,8,13,15,18H,4-7,9-10,17H2,1H3
InChIKeyXSUPYIZUHXBKOA-UHFFFAOYSA-N
XLogP1.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone with MolForge

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Related Compounds

(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone
CID 82584286
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262533
4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 84717063
[(3S)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 107217468
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 114678463
N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584448
(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420
(7-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 82584648
(1-oxo-1,4-thiazinan-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262107
(7-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperazin-1-ylmethanone
CID 82584658
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 82584257

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone (CID 82584464) is (4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is Cc1ccc2c(c1)C(C(=O)N1CCC(N)CC1)CNC2.
What is the InChIKey of (4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
The InChIKey is XSUPYIZUHXBKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-2-3-12-9-18-10-15(14(12)8-11)16(20)19-6-4-13(17)5-7-19/h2-3,8,13,15,18H,4-7,9-10,17H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone?
(4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)methanone is sourced from PubChem (CID 82584464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).