1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol

C20H35NO2 — CID 16876958

IUPAC1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
SMILESC#CC1(OCC(O)CN2C(C)(C)CCCC2(C)C)CCCCC1
InChIInChI=1S/C20H35NO2/c1-6-20(13-8-7-9-14-20)23-16-17(22)15-21-18(2,3)11-10-12-19(21,4)5/h1,17,22H,7-16H2,2-5H3
InChIKeyZDVTUYCBMIYESX-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.74
Rot. Bonds5

About 1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol

1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol (PubChem CID 16876958) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
PubChem CID16876958
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC Name1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
SMILESC#CC1(OCC(O)CN2C(C)(C)CCCC2(C)C)CCCCC1
InChIInChI=1S/C20H35NO2/c1-6-20(13-8-7-9-14-20)23-16-17(22)15-21-18(2,3)11-10-12-19(21,4)5/h1,17,22H,7-16H2,2-5H3
InChIKeyZDVTUYCBMIYESX-UHFFFAOYSA-N
XLogP3.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol (CID 16876958) is 1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol is C#CC1(OCC(O)CN2C(C)(C)CCCC2(C)C)CCCCC1.
What is the InChIKey of 1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol?
The InChIKey is ZDVTUYCBMIYESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c1-6-20(13-8-7-9-14-20)23-16-17(22)15-21-18(2,3)11-10-12-19(21,4)5/h1,17,22H,7-16H2,2-5H3.
What are the key properties of 1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol?
1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol has a molecular weight of 321.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 16876958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).