(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate

C11H20ClNO3 — CID 54035365

IUPAC(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate
SMILESCON1C(C)(C)CC(OC(=O)Cl)CC1(C)C
InChIInChI=1S/C11H20ClNO3/c1-10(2)6-8(16-9(12)14)7-11(3,4)13(10)15-5/h8H,6-7H2,1-5H3
InChIKeyLINXSYMLKLXLBO-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.94
Rot. Bonds2

About (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate

(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate (PubChem CID 54035365) has the molecular formula C11H20ClNO3 and a molecular weight of 249.74 g/mol. Its IUPAC name is (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate.

Molecular Properties

Compound Name(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate
PubChem CID54035365
Molecular FormulaC11H20ClNO3
Molecular Weight249.74 g/mol
Exact Mass249.11
IUPAC Name(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate
SMILESCON1C(C)(C)CC(OC(=O)Cl)CC1(C)C
InChIInChI=1S/C11H20ClNO3/c1-10(2)6-8(16-9(12)14)7-11(3,4)13(10)15-5/h8H,6-7H2,1-5H3
InChIKeyLINXSYMLKLXLBO-UHFFFAOYSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate
CID 54536773
bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
CID 20576509
1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-en-1-one
CID 90169474
1-methoxy-2,2,6,6-tetramethylpiperidine-4-thiol
CID 118941559
1-methoxy-2,2,6,6-tetramethylpiperidin-4-olate
CID 71297217
1-O-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl) 4-O-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl) cyclohexane-1,4-dicarboxylate
CID 129212703
(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
CID 708860
tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate
CID 18716423
4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid
CID 59891522
(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) (4-methylphenyl)methyl carbonate
CID 88974835
1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-non-1-en-2-yloxypiperidin-4-yl) decanedioate
CID 153219255
1-O,2-O-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 90132227

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate?
The IUPAC name of (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate (CID 54035365) is (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate.
What is the SMILES notation for (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate?
The canonical SMILES for (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate is CON1C(C)(C)CC(OC(=O)Cl)CC1(C)C.
What is the InChIKey of (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate?
The InChIKey is LINXSYMLKLXLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO3/c1-10(2)6-8(16-9(12)14)7-11(3,4)13(10)15-5/h8H,6-7H2,1-5H3.
What are the key properties of (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate?
(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate has a molecular weight of 249.74 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate is sourced from PubChem (CID 54035365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).