4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine

C6H12ClNO — CID 162705405

IUPAC4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine
SMILES[2H]C1([2H])OCCN(CCCl)C1([2H])[2H]
InChIInChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2/i3D2,5D2
InChIKeyZAPMTSHEXFEPSD-JAJFWILCSA-N
MW153.65 g/mol
LogP0.56
Rot. Bonds2

About 4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine

4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine (PubChem CID 162705405) has the molecular formula C6H12ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine.

Molecular Properties

Compound Name4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine
PubChem CID162705405
Molecular FormulaC6H12ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC Name4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine
SMILES[2H]C1([2H])OCCN(CCCl)C1([2H])[2H]
InChIInChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2/i3D2,5D2
InChIKeyZAPMTSHEXFEPSD-JAJFWILCSA-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 ≤ 500153.65
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine 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

4-(2-chloroethyl)-2,2-dideuteriomorpholine
CID 162705481
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
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
CID 3043329
4-(morpholin-4-ylmethyl)morpholine
CID 21839
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride
CID 54610602
2-chloro-7-[2-(2,2-dideuteriomorpholin-4-yl)ethyl]-1H-purin-6-one
CID 162705449

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine?
The IUPAC name of 4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine (CID 162705405) is 4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine.
What is the SMILES notation for 4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine?
The canonical SMILES for 4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine is [2H]C1([2H])OCCN(CCCl)C1([2H])[2H].
What is the InChIKey of 4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine?
The InChIKey is ZAPMTSHEXFEPSD-JAJFWILCSA-N. The full InChI is InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2/i3D2,5D2.
What are the key properties of 4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine?
4-(2-chloroethyl)-2,2,3,3-tetradeuteriomorpholine has a molecular weight of 153.65 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)-2,2,3,3-tetradeuteriomorpholine is sourced from PubChem (CID 162705405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).