4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride

C32H35BrClNO3 — CID 22127050

About 4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride

4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride (PubChem CID 22127050) has the molecular formula C32H35BrClNO3 and a molecular weight of 596.99 g/mol. Its IUPAC name is 4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride.

Molecular Properties

• Compound Name: 4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
• PubChem CID: 22127050
• Molecular Formula: C32H35BrClNO3
• Molecular Weight: 596.99 g/mol
• Exact Mass: 595.15
• IUPAC Name: 4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
• SMILES: Brc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1.Cl
• InChI: InChI=1S/C32H34BrNO3.ClH/c33-31-9-4-3-8-28(31)23-35-18-5-19-36-29-14-12-26(13-15-29)30-16-17-34-21-32(30)37-22-24-10-11-25-6-1-2-7-27(25)20-24;/h1-4,6-15,20,30,32,34H,5,16-19,21-23H2;1H
• InChIKey: SDUDHRNEJGUECI-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 39.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.99
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride?

The IUPAC name of 4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride (CID 22127050) is 4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride.

What is the SMILES notation for 4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride?

The canonical SMILES for 4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride is Brc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1.Cl.

What is the InChIKey of 4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride?

The InChIKey is SDUDHRNEJGUECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34BrNO3.ClH/c33-31-9-4-3-8-28(31)23-35-18-5-19-36-29-14-12-26(13-15-29)30-16-17-34-21-32(30)37-22-24-10-11-25-6-1-2-7-27(25)20-24;/h1-4,6-15,20,30,32,34H,5,16-19,21-23H2;1H.

What are the key properties of 4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride?

4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride has a molecular weight of 596.99 g/mol, XLogP of 7.67, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride is sourced from PubChem (CID 22127050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).