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

C20H35NO3 — CID 16876963

IUPAC1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC#CC1(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)CCCCC1
InChIInChI=1S/C20H35NO3/c1-6-20(10-8-7-9-11-20)24-15-17(23)14-21-18(2,3)12-16(22)13-19(21,4)5/h1,16-17,22-23H,7-15H2,2-5H3
InChIKeyBVBWXWSNQXQSIC-UHFFFAOYSA-N
MW337.50 g/mol
LogP2.71
Rot. Bonds5

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

1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 16876963) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID16876963
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC#CC1(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)CCCCC1
InChIInChI=1S/C20H35NO3/c1-6-20(10-8-7-9-11-20)24-15-17(23)14-21-18(2,3)12-16(22)13-19(21,4)5/h1,16-17,22-23H,7-15H2,2-5H3
InChIKeyBVBWXWSNQXQSIC-UHFFFAOYSA-N
XLogP2.71
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol (CID 16876963) is 1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is C#CC1(OCC(O)CN2C(C)(C)CC(O)CC2(C)C)CCCCC1.
What is the InChIKey of 1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is BVBWXWSNQXQSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-6-20(10-8-7-9-11-20)24-15-17(23)14-21-18(2,3)12-16(22)13-19(21,4)5/h1,16-17,22-23H,7-15H2,2-5H3.
What are the key properties of 1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 337.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 16876963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).