4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine

C21H29N3O — CID 154755885

IUPAC4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
SMILESCc1nc2ccccc2c(N2CCC[C@H](CN3CCOCC3)C2)c1C
InChIInChI=1S/C21H29N3O/c1-16-17(2)22-20-8-4-3-7-19(20)21(16)24-9-5-6-18(15-24)14-23-10-12-25-13-11-23/h3-4,7-8,18H,5-6,9-15H2,1-2H3/t18-/m1/s1
InChIKeyMGOKQNCSIMVYDC-GOSISDBHSA-N
MW339.48 g/mol
LogP3.40
Rot. Bonds3

About 4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine

4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine (PubChem CID 154755885) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
PubChem CID154755885
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
SMILESCc1nc2ccccc2c(N2CCC[C@H](CN3CCOCC3)C2)c1C
InChIInChI=1S/C21H29N3O/c1-16-17(2)22-20-8-4-3-7-19(20)21(16)24-9-5-6-18(15-24)14-23-10-12-25-13-11-23/h3-4,7-8,18H,5-6,9-15H2,1-2H3/t18-/m1/s1
InChIKeyMGOKQNCSIMVYDC-GOSISDBHSA-N
XLogP3.40
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine (CID 154755885) is 4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine is Cc1nc2ccccc2c(N2CCC[C@H](CN3CCOCC3)C2)c1C.
What is the InChIKey of 4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine?
The InChIKey is MGOKQNCSIMVYDC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16-17(2)22-20-8-4-3-7-19(20)21(16)24-9-5-6-18(15-24)14-23-10-12-25-13-11-23/h3-4,7-8,18H,5-6,9-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine?
4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine has a molecular weight of 339.48 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 154755885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).