4-(4-chlorobutyl)morpholine;hydrochloride

C8H17Cl2NO — CID 71310941

IUPAC4-(4-chlorobutyl)morpholine;hydrochloride
SMILESCl.ClCCCCN1CCOCC1
InChIInChI=1S/C8H16ClNO.ClH/c9-3-1-2-4-10-5-7-11-8-6-10;/h1-8H2;1H
InChIKeyGVGLBMSAGIOHOA-UHFFFAOYSA-N
MW214.14 g/mol
LogP1.76
Rot. Bonds4

About 4-(4-chlorobutyl)morpholine;hydrochloride

4-(4-chlorobutyl)morpholine;hydrochloride (PubChem CID 71310941) has the molecular formula C8H17Cl2NO and a molecular weight of 214.14 g/mol. Its IUPAC name is 4-(4-chlorobutyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorobutyl)morpholine;hydrochloride
PubChem CID71310941
Molecular FormulaC8H17Cl2NO
Molecular Weight214.14 g/mol
Exact Mass213.07
IUPAC Name4-(4-chlorobutyl)morpholine;hydrochloride
SMILESCl.ClCCCCN1CCOCC1
InChIInChI=1S/C8H16ClNO.ClH/c9-3-1-2-4-10-5-7-11-8-6-10;/h1-8H2;1H
InChIKeyGVGLBMSAGIOHOA-UHFFFAOYSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutyl)morpholine;hydrochloride?
The IUPAC name of 4-(4-chlorobutyl)morpholine;hydrochloride (CID 71310941) is 4-(4-chlorobutyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(4-chlorobutyl)morpholine;hydrochloride?
The canonical SMILES for 4-(4-chlorobutyl)morpholine;hydrochloride is Cl.ClCCCCN1CCOCC1.
What is the InChIKey of 4-(4-chlorobutyl)morpholine;hydrochloride?
The InChIKey is GVGLBMSAGIOHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO.ClH/c9-3-1-2-4-10-5-7-11-8-6-10;/h1-8H2;1H.
What are the key properties of 4-(4-chlorobutyl)morpholine;hydrochloride?
4-(4-chlorobutyl)morpholine;hydrochloride has a molecular weight of 214.14 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutyl)morpholine;hydrochloride is sourced from PubChem (CID 71310941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).