4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol

C21H20FNO2 — CID 173058697

IUPAC4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol
SMILESOc1cc(C2NCCCC2Oc2cccc(F)c2)c2ccccc2c1
InChIInChI=1S/C21H20FNO2/c22-15-6-3-7-17(12-15)25-20-9-4-10-23-21(20)19-13-16(24)11-14-5-1-2-8-18(14)19/h1-3,5-8,11-13,20-21,23-24H,4,9-10H2
InChIKeyJSZQRLSEQDNLCN-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.56
Rot. Bonds3

About 4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol

4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol (PubChem CID 173058697) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol
PubChem CID173058697
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol
SMILESOc1cc(C2NCCCC2Oc2cccc(F)c2)c2ccccc2c1
InChIInChI=1S/C21H20FNO2/c22-15-6-3-7-17(12-15)25-20-9-4-10-23-21(20)19-13-16(24)11-14-5-1-2-8-18(14)19/h1-3,5-8,11-13,20-21,23-24H,4,9-10H2
InChIKeyJSZQRLSEQDNLCN-UHFFFAOYSA-N
XLogP4.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol?
The IUPAC name of 4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol (CID 173058697) is 4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol?
The canonical SMILES for 4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol is Oc1cc(C2NCCCC2Oc2cccc(F)c2)c2ccccc2c1.
What is the InChIKey of 4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol?
The InChIKey is JSZQRLSEQDNLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c22-15-6-3-7-17(12-15)25-20-9-4-10-23-21(20)19-13-16(24)11-14-5-1-2-8-18(14)19/h1-3,5-8,11-13,20-21,23-24H,4,9-10H2.
What are the key properties of 4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol?
4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol has a molecular weight of 337.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenoxy)piperidin-2-yl]naphthalen-2-ol is sourced from PubChem (CID 173058697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).