3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine

C25H24Cl2FNO2 — CID 22058266

IUPAC3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine
SMILESFc1cc(Cl)ccc1COC1CNCCC1(OCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H24Cl2FNO2/c26-21-10-7-20(8-11-21)25(31-16-18-4-2-1-3-5-18)12-13-29-15-24(25)30-17-19-6-9-22(27)14-23(19)28/h1-11,14,24,29H,12-13,15-17H2
InChIKeySOAGLQPCKCYNRU-UHFFFAOYSA-N
MW460.38 g/mol
LogP6.12
Rot. Bonds7

About 3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine

3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine (PubChem CID 22058266) has the molecular formula C25H24Cl2FNO2 and a molecular weight of 460.38 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine
PubChem CID22058266
Molecular FormulaC25H24Cl2FNO2
Molecular Weight460.38 g/mol
Exact Mass459.12
IUPAC Name3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine
SMILESFc1cc(Cl)ccc1COC1CNCCC1(OCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H24Cl2FNO2/c26-21-10-7-20(8-11-21)25(31-16-18-4-2-1-3-5-18)12-13-29-15-24(25)30-17-19-6-9-22(27)14-23(19)28/h1-11,14,24,29H,12-13,15-17H2
InChIKeySOAGLQPCKCYNRU-UHFFFAOYSA-N
XLogP6.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.38
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine (CID 22058266) is 3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine is Fc1cc(Cl)ccc1COC1CNCCC1(OCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine?
The InChIKey is SOAGLQPCKCYNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FNO2/c26-21-10-7-20(8-11-21)25(31-16-18-4-2-1-3-5-18)12-13-29-15-24(25)30-17-19-6-9-22(27)14-23(19)28/h1-11,14,24,29H,12-13,15-17H2.
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine?
3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine has a molecular weight of 460.38 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methoxy]-4-(4-chlorophenyl)-4-phenylmethoxypiperidine is sourced from PubChem (CID 22058266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).