1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol

C22H43NO3 — CID 3399441

IUPAC1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(C)(C)C1CCC(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)CC1
InChIInChI=1S/C22H43NO3/c1-20(2,3)16-8-10-19(11-9-16)26-15-18(25)14-23-21(4,5)12-17(24)13-22(23,6)7/h16-19,24-25H,8-15H2,1-7H3
InChIKeyAVIBQUGXCYWJEA-UHFFFAOYSA-N
MW369.59 g/mol
LogP3.98
Rot. Bonds5

About 1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol

1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 3399441) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is 1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID3399441
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Name1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC(C)(C)C1CCC(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)CC1
InChIInChI=1S/C22H43NO3/c1-20(2,3)16-8-10-19(11-9-16)26-15-18(25)14-23-21(4,5)12-17(24)13-22(23,6)7/h16-19,24-25H,8-15H2,1-7H3
InChIKeyAVIBQUGXCYWJEA-UHFFFAOYSA-N
XLogP3.98
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (CID 3399441) is 1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is CC(C)(C)C1CCC(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)CC1.
What is the InChIKey of 1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is AVIBQUGXCYWJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO3/c1-20(2,3)16-8-10-19(11-9-16)26-15-18(25)14-23-21(4,5)12-17(24)13-22(23,6)7/h16-19,24-25H,8-15H2,1-7H3.
What are the key properties of 1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 369.59 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 3399441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).