4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride

C11H23ClN2O — CID 131134701

IUPAC4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride
SMILESCC(C)(C)C1CN(C2CNC2)CCO1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-11(2,3)10-8-13(4-5-14-10)9-6-12-7-9;/h9-10,12H,4-8H2,1-3H3;1H
InChIKeyFITLEBDYMCUGJO-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.13
Rot. Bonds1

About 4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride

4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride (PubChem CID 131134701) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride
PubChem CID131134701
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride
SMILESCC(C)(C)C1CN(C2CNC2)CCO1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-11(2,3)10-8-13(4-5-14-10)9-6-12-7-9;/h9-10,12H,4-8H2,1-3H3;1H
InChIKeyFITLEBDYMCUGJO-UHFFFAOYSA-N
XLogP1.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride?
The IUPAC name of 4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride (CID 131134701) is 4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride.
What is the SMILES notation for 4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride?
The canonical SMILES for 4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride is CC(C)(C)C1CN(C2CNC2)CCO1.Cl.
What is the InChIKey of 4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride?
The InChIKey is FITLEBDYMCUGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.ClH/c1-11(2,3)10-8-13(4-5-14-10)9-6-12-7-9;/h9-10,12H,4-8H2,1-3H3;1H.
What are the key properties of 4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride?
4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-2-tert-butylmorpholine;hydrochloride is sourced from PubChem (CID 131134701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).