2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride

C11H21ClF2N2O — CID 23079677

IUPAC2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride
SMILESCl.FC1(F)CCN(CCC2CNCCO2)CC1
InChIInChI=1S/C11H20F2N2O.ClH/c12-11(13)2-6-15(7-3-11)5-1-10-9-14-4-8-16-10;/h10,14H,1-9H2;1H
InChIKeyBUJQJJHOUNJATK-UHFFFAOYSA-N
MW270.75 g/mol
LogP1.52
Rot. Bonds3

About 2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride

2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride (PubChem CID 23079677) has the molecular formula C11H21ClF2N2O and a molecular weight of 270.75 g/mol. Its IUPAC name is 2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride
PubChem CID23079677
Molecular FormulaC11H21ClF2N2O
Molecular Weight270.75 g/mol
Exact Mass270.13
IUPAC Name2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride
SMILESCl.FC1(F)CCN(CCC2CNCCO2)CC1
InChIInChI=1S/C11H20F2N2O.ClH/c12-11(13)2-6-15(7-3-11)5-1-10-9-14-4-8-16-10;/h10,14H,1-9H2;1H
InChIKeyBUJQJJHOUNJATK-UHFFFAOYSA-N
XLogP1.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride?
The IUPAC name of 2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride (CID 23079677) is 2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride.
What is the SMILES notation for 2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride?
The canonical SMILES for 2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride is Cl.FC1(F)CCN(CCC2CNCCO2)CC1.
What is the InChIKey of 2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride?
The InChIKey is BUJQJJHOUNJATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O.ClH/c12-11(13)2-6-15(7-3-11)5-1-10-9-14-4-8-16-10;/h10,14H,1-9H2;1H.
What are the key properties of 2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride?
2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride has a molecular weight of 270.75 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride is sourced from PubChem (CID 23079677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).