1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol

C15H16FNO2 — CID 91285081

IUPAC1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol
SMILESOC1CCN(c2ccoc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FNO2/c16-12-3-1-11(2-4-12)15-14(7-10-19-15)17-8-5-13(18)6-9-17/h1-4,7,10,13,18H,5-6,8-9H2
InChIKeyTYSMLTJZXPENAM-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.05
Rot. Bonds2

About 1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol

1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol (PubChem CID 91285081) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol
PubChem CID91285081
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol
SMILESOC1CCN(c2ccoc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FNO2/c16-12-3-1-11(2-4-12)15-14(7-10-19-15)17-8-5-13(18)6-9-17/h1-4,7,10,13,18H,5-6,8-9H2
InChIKeyTYSMLTJZXPENAM-UHFFFAOYSA-N
XLogP3.05
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol (CID 91285081) is 1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol is OC1CCN(c2ccoc2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol?
The InChIKey is TYSMLTJZXPENAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-12-3-1-11(2-4-12)15-14(7-10-19-15)17-8-5-13(18)6-9-17/h1-4,7,10,13,18H,5-6,8-9H2.
What are the key properties of 1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol?
1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol has a molecular weight of 261.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)furan-3-yl]piperidin-4-ol is sourced from PubChem (CID 91285081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).