4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine

C24H25NOS — CID 12645571

IUPAC4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine
SMILESc1ccc(COC2(c3ccccc3)CCN(Sc3ccccc3)CC2)cc1
InChIInChI=1S/C24H25NOS/c1-4-10-21(11-5-1)20-26-24(22-12-6-2-7-13-22)16-18-25(19-17-24)27-23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKeyGLRACGBGDFDXHX-UHFFFAOYSA-N
MW375.54 g/mol
LogP5.90
Rot. Bonds6

About 4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine

4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine (PubChem CID 12645571) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is 4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine.

Molecular Properties

Compound Name4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine
PubChem CID12645571
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC Name4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine
SMILESc1ccc(COC2(c3ccccc3)CCN(Sc3ccccc3)CC2)cc1
InChIInChI=1S/C24H25NOS/c1-4-10-21(11-5-1)20-26-24(22-12-6-2-7-13-22)16-18-25(19-17-24)27-23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKeyGLRACGBGDFDXHX-UHFFFAOYSA-N
XLogP5.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine?
The IUPAC name of 4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine (CID 12645571) is 4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine.
What is the SMILES notation for 4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine?
The canonical SMILES for 4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine is c1ccc(COC2(c3ccccc3)CCN(Sc3ccccc3)CC2)cc1.
What is the InChIKey of 4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine?
The InChIKey is GLRACGBGDFDXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NOS/c1-4-10-21(11-5-1)20-26-24(22-12-6-2-7-13-22)16-18-25(19-17-24)27-23-14-8-3-9-15-23/h1-15H,16-20H2.
What are the key properties of 4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine?
4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine has a molecular weight of 375.54 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-phenylmethoxy-1-phenylsulfanylpiperidine is sourced from PubChem (CID 12645571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).