(3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride

C11H14ClNO3 — CID 171192633

IUPAC(3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride
SMILESCl.c1cc2c(c([C@@H]3COCCN3)c1)OCO2
InChIInChI=1S/C11H13NO3.ClH/c1-2-8(9-6-13-5-4-12-9)11-10(3-1)14-7-15-11;/h1-3,9,12H,4-7H2;1H/t9-;/m0./s1
InChIKeyUCPIXOCQDFVUCQ-FVGYRXGTSA-N
MW243.69 g/mol
LogP1.50
Rot. Bonds1

About (3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride

(3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride (PubChem CID 171192633) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride
PubChem CID171192633
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride
SMILESCl.c1cc2c(c([C@@H]3COCCN3)c1)OCO2
InChIInChI=1S/C11H13NO3.ClH/c1-2-8(9-6-13-5-4-12-9)11-10(3-1)14-7-15-11;/h1-3,9,12H,4-7H2;1H/t9-;/m0./s1
InChIKeyUCPIXOCQDFVUCQ-FVGYRXGTSA-N
XLogP1.50
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride
CID 171195463
(2S)-2-(1,3-benzodioxol-4-yl)piperazine
CID 171193726
(3R)-3-(2,3-difluorophenyl)morpholine;hydrochloride
CID 171192608
(3R)-3-naphthalen-1-ylmorpholine;hydrochloride
CID 171192824
3-(2-bromophenyl)morpholine;hydrochloride
CID 155487565
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
(3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine
CID 171192921
2-morpholin-3-ylphenol
CID 55294349
(3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride
CID 171193150
(3S)-3-(1H-indol-4-yl)morpholine
CID 96761746
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
3-(3-bromo-2-fluorophenyl)morpholine
CID 83439764

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride?
The IUPAC name of (3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride (CID 171192633) is (3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride.
What is the SMILES notation for (3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride?
The canonical SMILES for (3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride is Cl.c1cc2c(c([C@@H]3COCCN3)c1)OCO2.
What is the InChIKey of (3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride?
The InChIKey is UCPIXOCQDFVUCQ-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H13NO3.ClH/c1-2-8(9-6-13-5-4-12-9)11-10(3-1)14-7-15-11;/h1-3,9,12H,4-7H2;1H/t9-;/m0./s1.
What are the key properties of (3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride?
(3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride is sourced from PubChem (CID 171192633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).