3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C12H23ClN2O2 — CID 91987853

IUPAC3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCCl)CC(C)(C)N1O
InChIInChI=1S/C12H23ClN2O2/c1-11(2)7-9(14-10(16)5-6-13)8-12(3,4)15(11)17/h9,17H,5-8H2,1-4H3,(H,14,16)
InChIKeyGEMTWBBMWQZJKT-UHFFFAOYSA-N
MW262.78 g/mol
LogP2.14
Rot. Bonds3

About 3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide

3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 91987853) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID91987853
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCCl)CC(C)(C)N1O
InChIInChI=1S/C12H23ClN2O2/c1-11(2)7-9(14-10(16)5-6-13)8-12(3,4)15(11)17/h9,17H,5-8H2,1-4H3,(H,14,16)
InChIKeyGEMTWBBMWQZJKT-UHFFFAOYSA-N
XLogP2.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 91987853) is 3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide is CC1(C)CC(NC(=O)CCCl)CC(C)(C)N1O.
What is the InChIKey of 3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is GEMTWBBMWQZJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O2/c1-11(2)7-9(14-10(16)5-6-13)8-12(3,4)15(11)17/h9,17H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 262.78 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 91987853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).