(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone

C16H22N2O2 — CID 79159594

IUPAC(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCC(O)c3ccccc32)CC1
InChIInChI=1S/C16H22N2O2/c1-12-6-9-17(10-7-12)16(20)18-11-8-15(19)13-4-2-3-5-14(13)18/h2-5,12,15,19H,6-11H2,1H3
InChIKeyVJXOKPYQPCYFJQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.78
Rot. Bonds

About (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone

(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 79159594) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID79159594
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCC(O)c3ccccc32)CC1
InChIInChI=1S/C16H22N2O2/c1-12-6-9-17(10-7-12)16(20)18-11-8-15(19)13-4-2-3-5-14(13)18/h2-5,12,15,19H,6-11H2,1H3
InChIKeyVJXOKPYQPCYFJQ-UHFFFAOYSA-N
XLogP2.78
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 79157886
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 114337478
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-morpholin-4-ylmethanone
CID 114337465
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
(2,6-dihydroxyphenyl)-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107690164
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone
CID 112603238
(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone
CID 714968
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110636855
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110636820
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone
CID 110709445
cyclopropyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537354

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone (CID 79159594) is (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)N2CCC(O)c3ccccc32)CC1.
What is the InChIKey of (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VJXOKPYQPCYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-6-9-17(10-7-12)16(20)18-11-8-15(19)13-4-2-3-5-14(13)18/h2-5,12,15,19H,6-11H2,1H3.
What are the key properties of (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone?
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 79159594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).