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

C17H32N2O2 — CID 98734841

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

(2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol (PubChem CID 98734841) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
• PubChem CID: 98734841
• Molecular Formula: C17H32N2O2
• Molecular Weight: 296.45 g/mol
• Exact Mass: 296.25
• IUPAC Name: (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
• SMILES: CCN1CCN(C[C@H](O)COC[C@H]2C[C@H]3CC[C@H]2C3)CC1
• InChI: InChI=1S/C17H32N2O2/c1-2-18-5-7-19(8-6-18)11-17(20)13-21-12-16-10-14-3-4-15(16)9-14/h14-17,20H,2-13H2,1H3/t14-,15-,16+,17-/m0/s1
• InChIKey: XAIIGBCFFXEEJR-NXOAAHMSSA-N
• XLogP: 1.44
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.45
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol (CID 98734841) is (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol.

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

The canonical SMILES for (2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol is CCN1CCN(C[C@H](O)COC[C@H]2C[C@H]3CC[C@H]2C3)CC1.

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

The InChIKey is XAIIGBCFFXEEJR-NXOAAHMSSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-18-5-7-19(8-6-18)11-17(20)13-21-12-16-10-14-3-4-15(16)9-14/h14-17,20H,2-13H2,1H3/t14-,15-,16+,17-/m0/s1.

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

(2S)-1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol has a molecular weight of 296.45 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-(4-ethylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 98734841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).