1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol

C23H29NO3 — CID 54044009

About 1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol

1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol (PubChem CID 54044009) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol
• PubChem CID: 54044009
• Molecular Formula: C23H29NO3
• Molecular Weight: 367.49 g/mol
• Exact Mass: 367.21
• IUPAC Name: 1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol
• SMILES: COc1ccc2c(c1)C[C@H](CN1CCC(O)(C(C)c3ccccc3)CC1)O2
• InChI: InChI=1S/C23H29NO3/c1-17(18-6-4-3-5-7-18)23(25)10-12-24(13-11-23)16-21-15-19-14-20(26-2)8-9-22(19)27-21/h3-9,14,17,21,25H,10-13,15-16H2,1-2H3/t17?,21-/m1/s1
• InChIKey: LOHBTFIFOJPWEH-FBLFFUNLSA-N
• XLogP: 3.63
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.49
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol?

The IUPAC name of 1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol (CID 54044009) is 1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol.

What is the SMILES notation for 1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol?

The canonical SMILES for 1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol is COc1ccc2c(c1)C[C@H](CN1CCC(O)(C(C)c3ccccc3)CC1)O2.

What is the InChIKey of 1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol?

The InChIKey is LOHBTFIFOJPWEH-FBLFFUNLSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17(18-6-4-3-5-7-18)23(25)10-12-24(13-11-23)16-21-15-19-14-20(26-2)8-9-22(19)27-21/h3-9,14,17,21,25H,10-13,15-16H2,1-2H3/t17?,21-/m1/s1.

What are the key properties of 1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol?

1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol has a molecular weight of 367.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-(1-phenylethyl)piperidin-4-ol is sourced from PubChem (CID 54044009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).