4-(2-chloroethyl)-2,2-dideuteriomorpholine

C6H12ClNO — CID 162705481

IUPAC4-(2-chloroethyl)-2,2-dideuteriomorpholine
SMILES[2H]C1([2H])CN(CCCl)CCO1
InChIInChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2/i5D2
InChIKeyZAPMTSHEXFEPSD-BFWBPSQCSA-N
MW151.63 g/mol
LogP0.56
Rot. Bonds2

About 4-(2-chloroethyl)-2,2-dideuteriomorpholine

4-(2-chloroethyl)-2,2-dideuteriomorpholine (PubChem CID 162705481) has the molecular formula C6H12ClNO and a molecular weight of 151.63 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2,2-dideuteriomorpholine.

Molecular Properties

Compound Name4-(2-chloroethyl)-2,2-dideuteriomorpholine
PubChem CID162705481
Molecular FormulaC6H12ClNO
Molecular Weight151.63 g/mol
Exact Mass151.07
IUPAC Name4-(2-chloroethyl)-2,2-dideuteriomorpholine
SMILES[2H]C1([2H])CN(CCCl)CCO1
InChIInChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2/i5D2
InChIKeyZAPMTSHEXFEPSD-BFWBPSQCSA-N
XLogP0.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.63
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine
CID 162705405
4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine
CID 174525711
4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride
CID 87292423
4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine
CID 22403187
4-(chloromethyl)morpholine;hydrate
CID 175868958
1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine;tetrahydrochloride
CID 3042591
2-chloro-7-[2-(2,2-dideuteriomorpholin-4-yl)ethyl]-1H-purin-6-one
CID 162705449
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
4-(2-nitroethyl)morpholine
CID 66731033
4-propylmorpholine;hydrobromide
CID 70540609

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-2,2-dideuteriomorpholine?
The IUPAC name of 4-(2-chloroethyl)-2,2-dideuteriomorpholine (CID 162705481) is 4-(2-chloroethyl)-2,2-dideuteriomorpholine.
What is the SMILES notation for 4-(2-chloroethyl)-2,2-dideuteriomorpholine?
The canonical SMILES for 4-(2-chloroethyl)-2,2-dideuteriomorpholine is [2H]C1([2H])CN(CCCl)CCO1.
What is the InChIKey of 4-(2-chloroethyl)-2,2-dideuteriomorpholine?
The InChIKey is ZAPMTSHEXFEPSD-BFWBPSQCSA-N. The full InChI is InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2/i5D2.
What are the key properties of 4-(2-chloroethyl)-2,2-dideuteriomorpholine?
4-(2-chloroethyl)-2,2-dideuteriomorpholine has a molecular weight of 151.63 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-2,2-dideuteriomorpholine is sourced from PubChem (CID 162705481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).