(2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol

C17H33NO3 — CID 7058396

About (2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol

(2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 7058396) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is (2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol
• PubChem CID: 7058396
• Molecular Formula: C17H33NO3
• Molecular Weight: 299.46 g/mol
• Exact Mass: 299.25
• IUPAC Name: (2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol
• SMILES: CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCOCC1
• InChI: InChI=1S/C17H33NO3/c1-13(2)16-5-4-14(3)10-17(16)21-12-15(19)11-18-6-8-20-9-7-18/h13-17,19H,4-12H2,1-3H3/t14-,15-,16-,17-/m1/s1
• InChIKey: VWOCGUKYAHXHNT-QBPKDAKJSA-N
• XLogP: 2.16
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.46
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol?

The IUPAC name of (2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol (CID 7058396) is (2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol.

What is the SMILES notation for (2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol?

The canonical SMILES for (2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol is CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCOCC1.

What is the InChIKey of (2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol?

The InChIKey is VWOCGUKYAHXHNT-QBPKDAKJSA-N. The full InChI is InChI=1S/C17H33NO3/c1-13(2)16-5-4-14(3)10-17(16)21-12-15(19)11-18-6-8-20-9-7-18/h13-17,19H,4-12H2,1-3H3/t14-,15-,16-,17-/m1/s1.

What are the key properties of (2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol?

(2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 299.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 7058396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).