4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine

C26H27Cl2NO — CID 24873653

IUPAC4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine
SMILESClc1ccc(C(OC2CCN(CCc3ccccc3)CC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H27Cl2NO/c27-23-10-6-21(7-11-23)26(22-8-12-24(28)13-9-22)30-25-15-18-29(19-16-25)17-14-20-4-2-1-3-5-20/h1-13,25-26H,14-19H2
InChIKeyIYGYCFISJXFHNM-UHFFFAOYSA-N
MW440.41 g/mol
LogP6.81
Rot. Bonds7

About 4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine

4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine (PubChem CID 24873653) has the molecular formula C26H27Cl2NO and a molecular weight of 440.41 g/mol. Its IUPAC name is 4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine
PubChem CID24873653
Molecular FormulaC26H27Cl2NO
Molecular Weight440.41 g/mol
Exact Mass439.15
IUPAC Name4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine
SMILESClc1ccc(C(OC2CCN(CCc3ccccc3)CC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H27Cl2NO/c27-23-10-6-21(7-11-23)26(22-8-12-24(28)13-9-22)30-25-15-18-29(19-16-25)17-14-20-4-2-1-3-5-20/h1-13,25-26H,14-19H2
InChIKeyIYGYCFISJXFHNM-UHFFFAOYSA-N
XLogP6.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.41
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine (CID 24873653) is 4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine is Clc1ccc(C(OC2CCN(CCc3ccccc3)CC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine?
The InChIKey is IYGYCFISJXFHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2NO/c27-23-10-6-21(7-11-23)26(22-8-12-24(28)13-9-22)30-25-15-18-29(19-16-25)17-14-20-4-2-1-3-5-20/h1-13,25-26H,14-19H2.
What are the key properties of 4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine?
4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine has a molecular weight of 440.41 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-chlorophenyl)methoxy]-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 24873653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).