1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol

C20H39NO2 — CID 3415162

About 1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol

1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol (PubChem CID 3415162) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol.

Molecular Properties

• Compound Name: 1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
• PubChem CID: 3415162
• Molecular Formula: C20H39NO2
• Molecular Weight: 325.54 g/mol
• Exact Mass: 325.30
• IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
• SMILES: CC1CCC(C(C)C)C(OCC(O)CN2CC(C)CC(C)C2)C1
• InChI: InChI=1S/C20H39NO2/c1-14(2)19-7-6-15(3)9-20(19)23-13-18(22)12-21-10-16(4)8-17(5)11-21/h14-20,22H,6-13H2,1-5H3
• InChIKey: PSKUZPOGYZMETL-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.54
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?

The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol (CID 3415162) is 1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol.

What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?

The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol is CC1CCC(C(C)C)C(OCC(O)CN2CC(C)CC(C)C2)C1.

What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?

The InChIKey is PSKUZPOGYZMETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-14(2)19-7-6-15(3)9-20(19)23-13-18(22)12-21-10-16(4)8-17(5)11-21/h14-20,22H,6-13H2,1-5H3.

What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?

1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol has a molecular weight of 325.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 3415162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).