1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride

C29H35ClN2O4 — CID 57391044

About 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride

1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 57391044) has the molecular formula C29H35ClN2O4 and a molecular weight of 511.06 g/mol. Its IUPAC name is 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
• PubChem CID: 57391044
• Molecular Formula: C29H35ClN2O4
• Molecular Weight: 511.06 g/mol
• Exact Mass: 510.23
• IUPAC Name: 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
• SMILES: COc1ccccc1N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1.Cl
• InChI: InChI=1S/C29H34N2O4.ClH/c1-34-29-14-8-6-12-26(29)31-19-17-30(18-20-31)21-24(32)22-35-28-13-7-5-11-25(28)27(33)16-15-23-9-3-2-4-10-23;/h2-14,24,32H,15-22H2,1H3;1H
• InChIKey: VYHOZIQWOSDVLC-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 62.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.06
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride?

The IUPAC name of 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride (CID 57391044) is 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride.

What is the SMILES notation for 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride?

The canonical SMILES for 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride is COc1ccccc1N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1.Cl.

What is the InChIKey of 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride?

The InChIKey is VYHOZIQWOSDVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4.ClH/c1-34-29-14-8-6-12-26(29)31-19-17-30(18-20-31)21-24(32)22-35-28-13-7-5-11-25(28)27(33)16-15-23-9-3-2-4-10-23;/h2-14,24,32H,15-22H2,1H3;1H.

What are the key properties of 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride?

1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 511.06 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 57391044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).