[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride

C17H22Cl3FN2O3 — CID 119777417

IUPAC[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride
SMILESCOC1(C(=O)N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)CCNCC1.Cl
InChIInChI=1S/C17H21Cl2FN2O3.ClH/c1-24-17(2-4-21-5-3-17)16(23)22-6-7-25-15(10-22)11-8-14(20)13(19)9-12(11)18;/h8-9,15,21H,2-7,10H2,1H3;1H
InChIKeyMRJWBUUAHYGIIS-UHFFFAOYSA-N
MW427.73 g/mol
LogP3.22
Rot. Bonds3

About [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride

[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride (PubChem CID 119777417) has the molecular formula C17H22Cl3FN2O3 and a molecular weight of 427.73 g/mol. Its IUPAC name is [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride
PubChem CID119777417
Molecular FormulaC17H22Cl3FN2O3
Molecular Weight427.73 g/mol
Exact Mass426.07
IUPAC Name[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride
SMILESCOC1(C(=O)N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)CCNCC1.Cl
InChIInChI=1S/C17H21Cl2FN2O3.ClH/c1-24-17(2-4-21-5-3-17)16(23)22-6-7-25-15(10-22)11-8-14(20)13(19)9-12(11)18;/h8-9,15,21H,2-7,10H2,1H3;1H
InChIKeyMRJWBUUAHYGIIS-UHFFFAOYSA-N
XLogP3.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.73
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119725542
[2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119757095
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120989276
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 119777407
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120931507
3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119777421
(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
CID 155946524
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119777428
2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone
CID 119777400
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone
CID 120792454
(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
CID 99103788
(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756490

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The IUPAC name of [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride (CID 119777417) is [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride is COC1(C(=O)N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)CCNCC1.Cl.
What is the InChIKey of [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
The InChIKey is MRJWBUUAHYGIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2FN2O3.ClH/c1-24-17(2-4-21-5-3-17)16(23)22-6-7-25-15(10-22)11-8-14(20)13(19)9-12(11)18;/h8-9,15,21H,2-7,10H2,1H3;1H.
What are the key properties of [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride?
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride has a molecular weight of 427.73 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119777417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).