(2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol

C19H37NO2 — CID 11869272

About (2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol

(2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol (PubChem CID 11869272) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is (2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
• PubChem CID: 11869272
• Molecular Formula: C19H37NO2
• Molecular Weight: 311.51 g/mol
• Exact Mass: 311.28
• IUPAC Name: (2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
• SMILES: CC1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1
• InChI: InChI=1S/C19H37NO2/c1-14(2)18-6-5-16(4)11-19(18)22-13-17(21)12-20-9-7-15(3)8-10-20/h14-19,21H,5-13H2,1-4H3/t16-,17+,18-,19-/m1/s1
• InChIKey: GOJANQILHWLMMS-FCGDIQPGSA-N
• XLogP: 3.56
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.51
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol?

The IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol (CID 11869272) is (2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol.

What is the SMILES notation for (2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol?

The canonical SMILES for (2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol is CC1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1.

What is the InChIKey of (2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol?

The InChIKey is GOJANQILHWLMMS-FCGDIQPGSA-N. The full InChI is InChI=1S/C19H37NO2/c1-14(2)18-6-5-16(4)11-19(18)22-13-17(21)12-20-9-7-15(3)8-10-20/h14-19,21H,5-13H2,1-4H3/t16-,17+,18-,19-/m1/s1.

What are the key properties of (2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol?

(2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol has a molecular weight of 311.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-(4-methylpiperidin-1-yl)-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol is sourced from PubChem (CID 11869272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).