3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol

C18H20FNO2 — CID 138052798

IUPAC3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol
SMILESCOc1cccc(-c2ccc(C3(O)CCCNC3)cc2)c1F
InChIInChI=1S/C18H20FNO2/c1-22-16-5-2-4-15(17(16)19)13-6-8-14(9-7-13)18(21)10-3-11-20-12-18/h2,4-9,20-21H,3,10-12H2,1H3
InChIKeyKMXUWWLGECWUSX-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.07
Rot. Bonds3

About 3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol

3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol (PubChem CID 138052798) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol
PubChem CID138052798
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol
SMILESCOc1cccc(-c2ccc(C3(O)CCCNC3)cc2)c1F
InChIInChI=1S/C18H20FNO2/c1-22-16-5-2-4-15(17(16)19)13-6-8-14(9-7-13)18(21)10-3-11-20-12-18/h2,4-9,20-21H,3,10-12H2,1H3
InChIKeyKMXUWWLGECWUSX-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol?
The IUPAC name of 3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol (CID 138052798) is 3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol.
What is the SMILES notation for 3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol?
The canonical SMILES for 3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol is COc1cccc(-c2ccc(C3(O)CCCNC3)cc2)c1F.
What is the InChIKey of 3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol?
The InChIKey is KMXUWWLGECWUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-22-16-5-2-4-15(17(16)19)13-6-8-14(9-7-13)18(21)10-3-11-20-12-18/h2,4-9,20-21H,3,10-12H2,1H3.
What are the key properties of 3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol?
3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol has a molecular weight of 301.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoro-3-methoxyphenyl)phenyl]piperidin-3-ol is sourced from PubChem (CID 138052798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).