(2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate

C12H22ClNO4 — CID 143060486

IUPAC(2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate
SMILESCC(CO)C(=O)OC1CC(C)(C)N(O)C(C)(Cl)C1
InChIInChI=1S/C12H22ClNO4/c1-8(7-15)10(16)18-9-5-11(2,3)14(17)12(4,13)6-9/h8-9,15,17H,5-7H2,1-4H3
InChIKeyCXBPXJNTBYXVAY-UHFFFAOYSA-N
MW279.76 g/mol
LogP1.75
Rot. Bonds3

About (2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate

(2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate (PubChem CID 143060486) has the molecular formula C12H22ClNO4 and a molecular weight of 279.76 g/mol. Its IUPAC name is (2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name(2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate
PubChem CID143060486
Molecular FormulaC12H22ClNO4
Molecular Weight279.76 g/mol
Exact Mass279.12
IUPAC Name(2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate
SMILESCC(CO)C(=O)OC1CC(C)(C)N(O)C(C)(Cl)C1
InChIInChI=1S/C12H22ClNO4/c1-8(7-15)10(16)18-9-5-11(2,3)14(17)12(4,13)6-9/h8-9,15,17H,5-7H2,1-4H3
InChIKeyCXBPXJNTBYXVAY-UHFFFAOYSA-N
XLogP1.75
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methyldecanedioate
CID 118137040
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate
CID 126739205
1-O,2-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 147915843
1-O,2-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 145331536
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
CID 155198262
4-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbutanedioate
CID 118137042
4-O-(2,6-dimethylheptan-4-yl) 1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 139514421
4-tert-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) propan-2-yl carbonate
CID 157159516
(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate
CID 139986108
(3,3-dimethylcyclobutyl) 2-methylpropanoate
CID 130735356
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate?
The IUPAC name of (2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate (CID 143060486) is (2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate.
What is the SMILES notation for (2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate?
The canonical SMILES for (2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate is CC(CO)C(=O)OC1CC(C)(C)N(O)C(C)(Cl)C1.
What is the InChIKey of (2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate?
The InChIKey is CXBPXJNTBYXVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO4/c1-8(7-15)10(16)18-9-5-11(2,3)14(17)12(4,13)6-9/h8-9,15,17H,5-7H2,1-4H3.
What are the key properties of (2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate?
(2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate has a molecular weight of 279.76 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1-hydroxy-2,6,6-trimethylpiperidin-4-yl) 3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 143060486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).