2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone

C13H22Cl2N2O3 — CID 21435705

IUPAC2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone
SMILESO=C(CCl)N1CCCCC1.O=C(CCl)N1CCOCC1
InChIInChI=1S/C7H12ClNO.C6H10ClNO2/c8-6-7(10)9-4-2-1-3-5-9;7-5-6(9)8-1-3-10-4-2-8/h1-6H2;1-5H2
InChIKeySVDGSBRNXJNLOI-UHFFFAOYSA-N
MW325.24 g/mol
LogP1.32
Rot. Bonds2

About 2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone

2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone (PubChem CID 21435705) has the molecular formula C13H22Cl2N2O3 and a molecular weight of 325.24 g/mol. Its IUPAC name is 2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone
PubChem CID21435705
Molecular FormulaC13H22Cl2N2O3
Molecular Weight325.24 g/mol
Exact Mass324.10
IUPAC Name2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone
SMILESO=C(CCl)N1CCCCC1.O=C(CCl)N1CCOCC1
InChIInChI=1S/C7H12ClNO.C6H10ClNO2/c8-6-7(10)9-4-2-1-3-5-9;7-5-6(9)8-1-3-10-4-2-8/h1-6H2;1-5H2
InChIKeySVDGSBRNXJNLOI-UHFFFAOYSA-N
XLogP1.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4,7-bis(2-chloroacetyl)-1,4,7-triazonan-1-yl]-2-chloroethanone
CID 67742151
2-chloro-1-(1,6-dioxa-3,9-diazacycloundec-3-yl)ethanone
CID 167204900
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethanone
CID 52908095
2-bromo-1-(1,4-oxazepan-4-yl)ethanone
CID 63679551
1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone
CID 39964571
2-chloroacetyl chloride;dimorpholin-4-ylmethanone
CID 174889845
(1-aminocyclohexyl)methyl morpholine-4-carboxylate
CID 79338373
2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone
CID 154116585
N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 111040241
(2-morpholin-4-yl-2-oxoethyl)azanide;yttrium
CID 176949022
3,3-dimethyl-1-(1,4-oxazepan-4-yl)butan-1-one
CID 58395315
1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
CID 167588263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone?
The IUPAC name of 2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone (CID 21435705) is 2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone?
The canonical SMILES for 2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone is O=C(CCl)N1CCCCC1.O=C(CCl)N1CCOCC1.
What is the InChIKey of 2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone?
The InChIKey is SVDGSBRNXJNLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO.C6H10ClNO2/c8-6-7(10)9-4-2-1-3-5-9;7-5-6(9)8-1-3-10-4-2-8/h1-6H2;1-5H2.
What are the key properties of 2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone?
2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone has a molecular weight of 325.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone is sourced from PubChem (CID 21435705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).