1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine

C31H29F2NO2 — CID 67438776

IUPAC1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine
SMILESFc1ccc(OCc2ccccc2)c(C2CCCCN2c2cc(F)ccc2OCc2ccccc2)c1
InChIInChI=1S/C31H29F2NO2/c32-25-14-16-30(35-21-23-9-3-1-4-10-23)27(19-25)28-13-7-8-18-34(28)29-20-26(33)15-17-31(29)36-22-24-11-5-2-6-12-24/h1-6,9-12,14-17,19-20,28H,7-8,13,18,21-22H2
InChIKeyMAABCPPFADKQLP-UHFFFAOYSA-N
MW485.57 g/mol
LogP7.85
Rot. Bonds8

About 1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine

1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine (PubChem CID 67438776) has the molecular formula C31H29F2NO2 and a molecular weight of 485.57 g/mol. Its IUPAC name is 1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine.

Molecular Properties

Compound Name1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine
PubChem CID67438776
Molecular FormulaC31H29F2NO2
Molecular Weight485.57 g/mol
Exact Mass485.22
IUPAC Name1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine
SMILESFc1ccc(OCc2ccccc2)c(C2CCCCN2c2cc(F)ccc2OCc2ccccc2)c1
InChIInChI=1S/C31H29F2NO2/c32-25-14-16-30(35-21-23-9-3-1-4-10-23)27(19-25)28-13-7-8-18-34(28)29-20-26(33)15-17-31(29)36-22-24-11-5-2-6-12-24/h1-6,9-12,14-17,19-20,28H,7-8,13,18,21-22H2
InChIKeyMAABCPPFADKQLP-UHFFFAOYSA-N
XLogP7.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine?
The IUPAC name of 1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine (CID 67438776) is 1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine.
What is the SMILES notation for 1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine?
The canonical SMILES for 1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine is Fc1ccc(OCc2ccccc2)c(C2CCCCN2c2cc(F)ccc2OCc2ccccc2)c1.
What is the InChIKey of 1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine?
The InChIKey is MAABCPPFADKQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F2NO2/c32-25-14-16-30(35-21-23-9-3-1-4-10-23)27(19-25)28-13-7-8-18-34(28)29-20-26(33)15-17-31(29)36-22-24-11-5-2-6-12-24/h1-6,9-12,14-17,19-20,28H,7-8,13,18,21-22H2.
What are the key properties of 1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine?
1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine has a molecular weight of 485.57 g/mol, XLogP of 7.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(5-fluoro-2-phenylmethoxyphenyl)piperidine is sourced from PubChem (CID 67438776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).