ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate

C19H27ClN2O3 — CID 28769517

IUPACethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCO[C@H](Cc3ccccc3Cl)C2)CC1
InChIInChI=1S/C19H27ClN2O3/c1-2-24-19(23)21-9-7-16(8-10-21)22-11-12-25-17(14-22)13-15-5-3-4-6-18(15)20/h3-6,16-17H,2,7-14H2,1H3/t17-/m1/s1
InChIKeyYJMLJLTWKWAXPE-QGZVFWFLSA-N
MW366.89 g/mol
LogP3.20
Rot. Bonds4

About ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate

ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate (PubChem CID 28769517) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate
PubChem CID28769517
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Nameethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCO[C@H](Cc3ccccc3Cl)C2)CC1
InChIInChI=1S/C19H27ClN2O3/c1-2-24-19(23)21-9-7-16(8-10-21)22-11-12-25-17(14-22)13-15-5-3-4-6-18(15)20/h3-6,16-17H,2,7-14H2,1H3/t17-/m1/s1
InChIKeyYJMLJLTWKWAXPE-QGZVFWFLSA-N
XLogP3.20
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate 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

[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-cyclopentylmethanone
CID 95123744
methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate
CID 26327707
[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 102604292
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
CID 56874173
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol
CID 125000372
ethyl 4-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate
CID 113074705
[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-(3-fluoro-2-methoxyphenyl)methanone
CID 95552061
ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
CID 45217033
(2-chlorophenyl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8542384
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate (CID 28769517) is ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCO[C@H](Cc3ccccc3Cl)C2)CC1.
What is the InChIKey of ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate?
The InChIKey is YJMLJLTWKWAXPE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-2-24-19(23)21-9-7-16(8-10-21)22-11-12-25-17(14-22)13-15-5-3-4-6-18(15)20/h3-6,16-17H,2,7-14H2,1H3/t17-/m1/s1.
What are the key properties of ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate?
ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate has a molecular weight of 366.89 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 28769517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).