1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol

C12H24BrNO2 — CID 10108475

IUPAC1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1CC(O)CBr
InChIInChI=1S/C12H24BrNO2/c1-11(2)5-9(15)6-12(3,4)14(11)8-10(16)7-13/h9-10,15-16H,5-8H2,1-4H3
InChIKeyHCUGEYCQVPHNMX-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.76
Rot. Bonds3

About 1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol

1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 10108475) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID10108475
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC Name1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1CC(O)CBr
InChIInChI=1S/C12H24BrNO2/c1-11(2)5-9(15)6-12(3,4)14(11)8-10(16)7-13/h9-10,15-16H,5-8H2,1-4H3
InChIKeyHCUGEYCQVPHNMX-UHFFFAOYSA-N
XLogP1.76
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Hydroxyethyl)-2,2,6,6-tetramethyl-4-hydroxypiperidine
CID 104301
4-Hydroxy-1-hydroxyethyl-2,2,6,6-tetramethylpiperidine
CID 12440978
1-(2-Hydroxy-2-methylpropyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 12756507
1-Ethyl-2,2,6,6-tetramethylpiperidin-4-ol
CID 13841718
2,2,6,6-Tetramethyl-1-propylpiperidin-4-ol
CID 13841719
1-(2-Hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol
CID 17999999
1-Hydroxyethyl-4-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18329129
1-(2-Hydroxyethyl)-2,2,6,6-tetramethylpiperidin-3-ol
CID 18419775
1-(3-Bromoprop-1-ynyl)-2,2,6,6-tetramethyl-1-prop-2-ynylpiperidin-1-ium-4-ol
CID 20159173
1-(2-Hydroxybutyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 20284704
1,2,2,6,6-Pentamethylpiperidin-4-ol;hydrate
CID 20328224
3-(2,2,6,6-Tetramethylpiperidin-1-yl)propane-1,2-diol
CID 20481883

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol (CID 10108475) is 1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1CC(O)CBr.
What is the InChIKey of 1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is HCUGEYCQVPHNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2/c1-11(2)5-9(15)6-12(3,4)14(11)8-10(16)7-13/h9-10,15-16H,5-8H2,1-4H3.
What are the key properties of 1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol?
1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 294.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 10108475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).