4-(chloromethyl)morpholine;hydrate

C5H12ClNO2 — CID 175868958

IUPAC4-(chloromethyl)morpholine;hydrate
SMILESClCN1CCOCC1.O
InChIInChI=1S/C5H10ClNO.H2O/c6-5-7-1-3-8-4-2-7;/h1-5H2;1H2
InChIKeyHQDGTIWLDQXPDF-UHFFFAOYSA-N
MW153.61 g/mol
LogP-0.31
Rot. Bonds1

About 4-(chloromethyl)morpholine;hydrate

4-(chloromethyl)morpholine;hydrate (PubChem CID 175868958) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is 4-(chloromethyl)morpholine;hydrate.

Molecular Properties

Compound Name4-(chloromethyl)morpholine;hydrate
PubChem CID175868958
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name4-(chloromethyl)morpholine;hydrate
SMILESClCN1CCOCC1.O
InChIInChI=1S/C5H10ClNO.H2O/c6-5-7-1-3-8-4-2-7;/h1-5H2;1H2
InChIKeyHQDGTIWLDQXPDF-UHFFFAOYSA-N
XLogP-0.31
TPSA43.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(morpholin-4-ylmethyl)morpholine
CID 21839
4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine
CID 174525711
2-morpholin-4-ylacetaldehyde
CID 59310625
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
CID 3043329
astatane;4-ethylmorpholine
CID 174883073
4-ethylmorpholine;hydron
CID 174383624
(2S)-2-methyl-3-morpholin-4-ylpropanenitrile
CID 39161429
4-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine
CID 117007742
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
N-(morpholin-4-ylmethyl)propan-2-amine
CID 59379058

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)morpholine;hydrate?
The IUPAC name of 4-(chloromethyl)morpholine;hydrate (CID 175868958) is 4-(chloromethyl)morpholine;hydrate.
What is the SMILES notation for 4-(chloromethyl)morpholine;hydrate?
The canonical SMILES for 4-(chloromethyl)morpholine;hydrate is ClCN1CCOCC1.O.
What is the InChIKey of 4-(chloromethyl)morpholine;hydrate?
The InChIKey is HQDGTIWLDQXPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO.H2O/c6-5-7-1-3-8-4-2-7;/h1-5H2;1H2.
What are the key properties of 4-(chloromethyl)morpholine;hydrate?
4-(chloromethyl)morpholine;hydrate has a molecular weight of 153.61 g/mol, XLogP of -0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)morpholine;hydrate is sourced from PubChem (CID 175868958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).