5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride

C28H32Cl3NO4 — CID 22127768

About 5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride

5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride (PubChem CID 22127768) has the molecular formula C28H32Cl3NO4 and a molecular weight of 552.93 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride.

Molecular Properties

• Compound Name: 5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride
• PubChem CID: 22127768
• Molecular Formula: C28H32Cl3NO4
• Molecular Weight: 552.93 g/mol
• Exact Mass: 551.14
• IUPAC Name: 5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride
• SMILES: Cl.OC1CNCC(OCc2cc(Cl)cc(Cl)c2)C1c1ccc(OCCCOCc2ccccc2)cc1
• InChI: InChI=1S/C28H31Cl2NO4.ClH/c29-23-13-21(14-24(30)15-23)19-35-27-17-31-16-26(32)28(27)22-7-9-25(10-8-22)34-12-4-11-33-18-20-5-2-1-3-6-20;/h1-3,5-10,13-15,26-28,31-32H,4,11-12,16-19H2;1H
• InChIKey: AVGXSKVXQCQWBQ-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 59.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.93
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride?

The IUPAC name of 5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride (CID 22127768) is 5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride.

What is the SMILES notation for 5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride?

The canonical SMILES for 5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride is Cl.OC1CNCC(OCc2cc(Cl)cc(Cl)c2)C1c1ccc(OCCCOCc2ccccc2)cc1.

What is the InChIKey of 5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride?

The InChIKey is AVGXSKVXQCQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31Cl2NO4.ClH/c29-23-13-21(14-24(30)15-23)19-35-27-17-31-16-26(32)28(27)22-7-9-25(10-8-22)34-12-4-11-33-18-20-5-2-1-3-6-20;/h1-3,5-10,13-15,26-28,31-32H,4,11-12,16-19H2;1H.

What are the key properties of 5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride?

5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride has a molecular weight of 552.93 g/mol, XLogP of 6.03, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3,5-dichlorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol;hydrochloride is sourced from PubChem (CID 22127768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).