(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone

C17H24N2O — CID 62332348

IUPAC(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
SMILESCC1CCN(C(=O)c2cccc3c2NCCC3)C(C)C1
InChIInChI=1S/C17H24N2O/c1-12-8-10-19(13(2)11-12)17(20)15-7-3-5-14-6-4-9-18-16(14)15/h3,5,7,12-13,18H,4,6,8-11H2,1-2H3
InChIKeyPGKINNMAGMEDJD-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.31
Rot. Bonds1

About (2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone

(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone (PubChem CID 62332348) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
PubChem CID62332348
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
SMILESCC1CCN(C(=O)c2cccc3c2NCCC3)C(C)C1
InChIInChI=1S/C17H24N2O/c1-12-8-10-19(13(2)11-12)17(20)15-7-3-5-14-6-4-9-18-16(14)15/h3,5,7,12-13,18H,4,6,8-11H2,1-2H3
InChIKeyPGKINNMAGMEDJD-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone (CID 62332348) is (2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone is CC1CCN(C(=O)c2cccc3c2NCCC3)C(C)C1.
What is the InChIKey of (2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The InChIKey is PGKINNMAGMEDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-8-10-19(13(2)11-12)17(20)15-7-3-5-14-6-4-9-18-16(14)15/h3,5,7,12-13,18H,4,6,8-11H2,1-2H3.
What are the key properties of (2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 62332348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).