(2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine

C25H33ClN2O2 — CID 126652440

IUPAC(2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine
SMILESCO[C@H]1CN(Cc2ccccc2)CCC1N1C[C@H](C)OCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H33ClN2O2/c1-19-15-28(23(18-30-19)14-20-8-10-22(26)11-9-20)24-12-13-27(17-25(24)29-2)16-21-6-4-3-5-7-21/h3-11,19,23-25H,12-18H2,1-2H3/t19-,23?,24?,25-/m0/s1
InChIKeyZVSNIGCHLROKFE-XBMRSUBKSA-N
MW429.00 g/mol
LogP4.26
Rot. Bonds6

About (2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine

(2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine (PubChem CID 126652440) has the molecular formula C25H33ClN2O2 and a molecular weight of 429.00 g/mol. Its IUPAC name is (2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine
PubChem CID126652440
Molecular FormulaC25H33ClN2O2
Molecular Weight429.00 g/mol
Exact Mass428.22
IUPAC Name(2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine
SMILESCO[C@H]1CN(Cc2ccccc2)CCC1N1C[C@H](C)OCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H33ClN2O2/c1-19-15-28(23(18-30-19)14-20-8-10-22(26)11-9-20)24-12-13-27(17-25(24)29-2)16-21-6-4-3-5-7-21/h3-11,19,23-25H,12-18H2,1-2H3/t19-,23?,24?,25-/m0/s1
InChIKeyZVSNIGCHLROKFE-XBMRSUBKSA-N
XLogP4.26
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.00
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine
CID 157061142
1-benzyl-3-methoxypiperidin-4-ol
CID 54277205
5-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157057863
5-[4-[(2R,5R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159429680
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 168678970
2-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-4-carboxylic acid
CID 168679072
(2S,5S)-4-[1-(2-bromo-4-pyridinyl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine
CID 168679103
[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
CID 68520665
(2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine
CID 168679104
(5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine
CID 170358023
(7S,9aR)-7-benzyl-2-[(4-chlorophenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56860524

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine?
The IUPAC name of (2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine (CID 126652440) is (2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine.
What is the SMILES notation for (2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine?
The canonical SMILES for (2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine is CO[C@H]1CN(Cc2ccccc2)CCC1N1C[C@H](C)OCC1Cc1ccc(Cl)cc1.
What is the InChIKey of (2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine?
The InChIKey is ZVSNIGCHLROKFE-XBMRSUBKSA-N. The full InChI is InChI=1S/C25H33ClN2O2/c1-19-15-28(23(18-30-19)14-20-8-10-22(26)11-9-20)24-12-13-27(17-25(24)29-2)16-21-6-4-3-5-7-21/h3-11,19,23-25H,12-18H2,1-2H3/t19-,23?,24?,25-/m0/s1.
What are the key properties of (2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine?
(2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine has a molecular weight of 429.00 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(3S)-1-benzyl-3-methoxypiperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine is sourced from PubChem (CID 126652440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).