3-(trideuteriomethoxy)azetidine;hydrochloride

C4H10ClNO — CID 157244485

IUPAC3-(trideuteriomethoxy)azetidine;hydrochloride
SMILESCl.[2H]C([2H])([2H])OC1CNC1
InChIInChI=1S/C4H9NO.ClH/c1-6-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H/i1D3;
InChIKeyKSXGQRBTBLQJEF-NIIDSAIPSA-N
MW126.60 g/mol
LogP0.03
Rot. Bonds2

About 3-(trideuteriomethoxy)azetidine;hydrochloride

3-(trideuteriomethoxy)azetidine;hydrochloride (PubChem CID 157244485) has the molecular formula C4H10ClNO and a molecular weight of 126.60 g/mol. Its IUPAC name is 3-(trideuteriomethoxy)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(trideuteriomethoxy)azetidine;hydrochloride
PubChem CID157244485
Molecular FormulaC4H10ClNO
Molecular Weight126.60 g/mol
Exact Mass126.06
IUPAC Name3-(trideuteriomethoxy)azetidine;hydrochloride
SMILESCl.[2H]C([2H])([2H])OC1CNC1
InChIInChI=1S/C4H9NO.ClH/c1-6-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H/i1D3;
InChIKeyKSXGQRBTBLQJEF-NIIDSAIPSA-N
XLogP0.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.60
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(trideuteriomethoxy)pyrrolidine
CID 165149976
(3R,5R)-5-methoxypiperidin-3-ol;hydrochloride
CID 138991486
(1R,2S,4R,5S)-6-(trideuteriomethoxy)cyclohexane-1,2,3,4,5-pentol
CID 169443752
(3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride
CID 154810015
3-(2-methylpropoxy)azetidine;hydrochloride
CID 67154547
(3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride
CID 155820392
3-ethoxyazetidine
CID 22507733
8-methoxy-3-azabicyclo[3.2.1]octane
CID 78149445
3-methoxypiperidine;hydrochloride
CID 23142000
(5-methoxypiperidin-3-yl)methanol
CID 166104648
(3S)-3-methoxypiperidine;sulfane;hydrochloride
CID 157461038
4-(azetidin-3-yloxy)piperidine;dihydrochloride
CID 155892166

Frequently Asked Questions

What is the IUPAC name of 3-(trideuteriomethoxy)azetidine;hydrochloride?
The IUPAC name of 3-(trideuteriomethoxy)azetidine;hydrochloride (CID 157244485) is 3-(trideuteriomethoxy)azetidine;hydrochloride.
What is the SMILES notation for 3-(trideuteriomethoxy)azetidine;hydrochloride?
The canonical SMILES for 3-(trideuteriomethoxy)azetidine;hydrochloride is Cl.[2H]C([2H])([2H])OC1CNC1.
What is the InChIKey of 3-(trideuteriomethoxy)azetidine;hydrochloride?
The InChIKey is KSXGQRBTBLQJEF-NIIDSAIPSA-N. The full InChI is InChI=1S/C4H9NO.ClH/c1-6-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H/i1D3;.
What are the key properties of 3-(trideuteriomethoxy)azetidine;hydrochloride?
3-(trideuteriomethoxy)azetidine;hydrochloride has a molecular weight of 126.60 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trideuteriomethoxy)azetidine;hydrochloride is sourced from PubChem (CID 157244485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).