(2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol

C18H33NO2 — CID 124725305

About (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol

(2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol (PubChem CID 124725305) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
• PubChem CID: 124725305
• Molecular Formula: C18H33NO2
• Molecular Weight: 295.47 g/mol
• Exact Mass: 295.25
• IUPAC Name: (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
• SMILES: C[C@@H]1C[C@H](C)CN(C[C@H](O)COC[C@H]2C[C@H]3CC[C@H]2C3)C1
• InChI: InChI=1S/C18H33NO2/c1-13-5-14(2)9-19(8-13)10-18(20)12-21-11-17-7-15-3-4-16(17)6-15/h13-18,20H,3-12H2,1-2H3/t13-,14+,15-,16-,17+,18-/m0/s1
• InChIKey: DONVDFKCHUZMLI-MULDDASSSA-N
• XLogP: 2.78
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.47
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol?

The IUPAC name of (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol (CID 124725305) is (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol.

What is the SMILES notation for (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol?

The canonical SMILES for (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol is C[C@@H]1C[C@H](C)CN(C[C@H](O)COC[C@H]2C[C@H]3CC[C@H]2C3)C1.

What is the InChIKey of (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol?

The InChIKey is DONVDFKCHUZMLI-MULDDASSSA-N. The full InChI is InChI=1S/C18H33NO2/c1-13-5-14(2)9-19(8-13)10-18(20)12-21-11-17-7-15-3-4-16(17)6-15/h13-18,20H,3-12H2,1-2H3/t13-,14+,15-,16-,17+,18-/m0/s1.

What are the key properties of (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol?

(2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol has a molecular weight of 295.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 124725305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).