1-[[(2R)-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(2-methylphenyl)methyl]piperidin-4-ol;hydrochloride

C22H28ClNO3 — CID 70046686

About 1-[[(2R)-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(2-methylphenyl)methyl]piperidin-4-ol;hydrochloride

1-[[(2R)-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(2-methylphenyl)methyl]piperidin-4-ol;hydrochloride (PubChem CID 70046686) has the molecular formula C22H28ClNO3 and a molecular weight of 389.92 g/mol. Its IUPAC name is 1-[[(2R)-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(2-methylphenyl)methyl]piperidin-4-ol;hydrochloride.

Molecular Properties

• Compound Name: 1-[[(2R)-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(2-methylphenyl)methyl]piperidin-4-ol;hydrochloride
• PubChem CID: 70046686
• Molecular Formula: C22H28ClNO3
• Molecular Weight: 389.92 g/mol
• Exact Mass: 389.18
• IUPAC Name: 1-[[(2R)-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(2-methylphenyl)methyl]piperidin-4-ol;hydrochloride
• SMILES: Cc1ccccc1CC1(O)CCN(C[C@H]2Cc3cc(O)ccc3O2)CC1.Cl
• InChI: InChI=1S/C22H27NO3.ClH/c1-16-4-2-3-5-17(16)14-22(25)8-10-23(11-9-22)15-20-13-18-12-19(24)6-7-21(18)26-20;/h2-7,12,20,24-25H,8-11,13-15H2,1H3;1H/t20-;/m1./s1
• InChIKey: IMHFKHHVCDFZSD-VEIFNGETSA-N
• XLogP: 3.50
• TPSA: 52.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.92
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[[(2R)-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(2-methylphenyl)methyl]piperidin-4-ol;hydrochloride (CID 70046686) is 1-[[(2R)-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(2-methylphenyl)methyl]piperidin-4-ol;hydrochloride.

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

The canonical SMILES for 1-[[(2R)-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(2-methylphenyl)methyl]piperidin-4-ol;hydrochloride is Cc1ccccc1CC1(O)CCN(C[C@H]2Cc3cc(O)ccc3O2)CC1.Cl.

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

The InChIKey is IMHFKHHVCDFZSD-VEIFNGETSA-N. The full InChI is InChI=1S/C22H27NO3.ClH/c1-16-4-2-3-5-17(16)14-22(25)8-10-23(11-9-22)15-20-13-18-12-19(24)6-7-21(18)26-20;/h2-7,12,20,24-25H,8-11,13-15H2,1H3;1H/t20-;/m1./s1.

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

1-[[(2R)-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(2-methylphenyl)methyl]piperidin-4-ol;hydrochloride has a molecular weight of 389.92 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(2R)-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[(2-methylphenyl)methyl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 70046686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).