4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine

C19H24ClN3O — CID 29086432

IUPAC4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine
SMILESClc1ccc2nc(CN3CCC[C@@H](N4CCOCC4)C3)ccc2c1
InChIInChI=1S/C19H24ClN3O/c20-16-4-6-19-15(12-16)3-5-17(21-19)13-22-7-1-2-18(14-22)23-8-10-24-11-9-23/h3-6,12,18H,1-2,7-11,13-14H2/t18-/m1/s1
InChIKeyAFHPIGOAXYFGFY-GOSISDBHSA-N
MW345.87 g/mol
LogP3.18
Rot. Bonds3

About 4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine

4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine (PubChem CID 29086432) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine
PubChem CID29086432
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine
SMILESClc1ccc2nc(CN3CCC[C@@H](N4CCOCC4)C3)ccc2c1
InChIInChI=1S/C19H24ClN3O/c20-16-4-6-19-15(12-16)3-5-17(21-19)13-22-7-1-2-18(14-22)23-8-10-24-11-9-23/h3-6,12,18H,1-2,7-11,13-14H2/t18-/m1/s1
InChIKeyAFHPIGOAXYFGFY-GOSISDBHSA-N
XLogP3.18
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45240787
5-chloro-3-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 92576656
6-chloro-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]quinoline
CID 74247744
4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine
CID 172905640
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]morpholine
CID 172905616
2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
CID 45189597
(9aS)-2-[(2,4-dichlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738071
2-[(2-methylpyrimidin-4-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79940082
4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine
CID 45236744
4-[(3R)-1-[(4-cyclopentyloxyphenyl)methyl]piperidin-3-yl]morpholine
CID 92641147
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
CID 82979175

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine (CID 29086432) is 4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine is Clc1ccc2nc(CN3CCC[C@@H](N4CCOCC4)C3)ccc2c1.
What is the InChIKey of 4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine?
The InChIKey is AFHPIGOAXYFGFY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24ClN3O/c20-16-4-6-19-15(12-16)3-5-17(21-19)13-22-7-1-2-18(14-22)23-8-10-24-11-9-23/h3-6,12,18H,1-2,7-11,13-14H2/t18-/m1/s1.
What are the key properties of 4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine?
4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine has a molecular weight of 345.87 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 29086432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).