(2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol

C19H35NO2 — CID 124893223

About (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol

(2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol (PubChem CID 124893223) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
• PubChem CID: 124893223
• Molecular Formula: C19H35NO2
• Molecular Weight: 309.49 g/mol
• Exact Mass: 309.27
• IUPAC Name: (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
• SMILES: CC1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1
• InChI: InChI=1S/C19H35NO2/c1-14-6-9-20(10-7-14)12-16(21)13-22-17-18(2,3)15-5-8-19(17,4)11-15/h14-17,21H,5-13H2,1-4H3/t15-,16+,17+,19-/m0/s1
• InChIKey: BTIIZGYDRCRTFM-FAJBIJEISA-N
• XLogP: 3.31
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.49
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?

The IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol (CID 124893223) is (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol.

What is the SMILES notation for (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?

The canonical SMILES for (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol is CC1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1.

What is the InChIKey of (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?

The InChIKey is BTIIZGYDRCRTFM-FAJBIJEISA-N. The full InChI is InChI=1S/C19H35NO2/c1-14-6-9-20(10-7-14)12-16(21)13-22-17-18(2,3)15-5-8-19(17,4)11-15/h14-17,21H,5-13H2,1-4H3/t15-,16+,17+,19-/m0/s1.

What are the key properties of (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol?

(2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol has a molecular weight of 309.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(4-methylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol is sourced from PubChem (CID 124893223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).