[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone

C16H20Cl2N2O2 — CID 119315643

IUPAC[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H20Cl2N2O2/c17-13-4-3-11(8-14(13)18)15-10-20(6-7-22-15)16(21)12-2-1-5-19-9-12/h3-4,8,12,15,19H,1-2,5-7,9-10H2
InChIKeyQWILKMYVYYIEFQ-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.89
Rot. Bonds2

About [2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone

[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone (PubChem CID 119315643) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
PubChem CID119315643
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H20Cl2N2O2/c17-13-4-3-11(8-14(13)18)15-10-20(6-7-22-15)16(21)12-2-1-5-19-9-12/h3-4,8,12,15,19H,1-2,5-7,9-10H2
InChIKeyQWILKMYVYYIEFQ-UHFFFAOYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450
[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119318503
(3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119769890
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 120988782
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119769231
cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 71804695
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-pyrazolidin-3-ylphenyl)methanone
CID 134080021
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone?
The IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone (CID 119315643) is [2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone?
The InChIKey is QWILKMYVYYIEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c17-13-4-3-11(8-14(13)18)15-10-20(6-7-22-15)16(21)12-2-1-5-19-9-12/h3-4,8,12,15,19H,1-2,5-7,9-10H2.
What are the key properties of [2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone?
[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone has a molecular weight of 343.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 119315643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).