4-piperidin-4-ylmorpholin-3-one;hydrochloride

C9H17ClN2O2 — CID 53255665

IUPAC4-piperidin-4-ylmorpholin-3-one;hydrochloride
SMILESCl.O=C1COCCN1C1CCNCC1
InChIInChI=1S/C9H16N2O2.ClH/c12-9-7-13-6-5-11(9)8-1-3-10-4-2-8;/h8,10H,1-7H2;1H
InChIKeyXSHWIWKBIOMUFG-UHFFFAOYSA-N
MW220.70 g/mol
LogP0.02
Rot. Bonds1

About 4-piperidin-4-ylmorpholin-3-one;hydrochloride

4-piperidin-4-ylmorpholin-3-one;hydrochloride (PubChem CID 53255665) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 4-piperidin-4-ylmorpholin-3-one;hydrochloride.

Molecular Properties

Compound Name4-piperidin-4-ylmorpholin-3-one;hydrochloride
PubChem CID53255665
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name4-piperidin-4-ylmorpholin-3-one;hydrochloride
SMILESCl.O=C1COCCN1C1CCNCC1
InChIInChI=1S/C9H16N2O2.ClH/c12-9-7-13-6-5-11(9)8-1-3-10-4-2-8;/h8,10H,1-7H2;1H
InChIKeyXSHWIWKBIOMUFG-UHFFFAOYSA-N
XLogP0.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylmorpholin-3-one;hydrochloride?
The IUPAC name of 4-piperidin-4-ylmorpholin-3-one;hydrochloride (CID 53255665) is 4-piperidin-4-ylmorpholin-3-one;hydrochloride.
What is the SMILES notation for 4-piperidin-4-ylmorpholin-3-one;hydrochloride?
The canonical SMILES for 4-piperidin-4-ylmorpholin-3-one;hydrochloride is Cl.O=C1COCCN1C1CCNCC1.
What is the InChIKey of 4-piperidin-4-ylmorpholin-3-one;hydrochloride?
The InChIKey is XSHWIWKBIOMUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.ClH/c12-9-7-13-6-5-11(9)8-1-3-10-4-2-8;/h8,10H,1-7H2;1H.
What are the key properties of 4-piperidin-4-ylmorpholin-3-one;hydrochloride?
4-piperidin-4-ylmorpholin-3-one;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylmorpholin-3-one;hydrochloride is sourced from PubChem (CID 53255665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).