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

C17H20FNO2 — CID 53193306

IUPAC(3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol
SMILESOC(c1cccc(F)c1)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C17H20FNO2/c18-15-4-1-3-14(11-15)17(20)13-6-8-19(9-7-13)12-16-5-2-10-21-16/h1-5,10-11,13,17,20H,6-9,12H2
InChIKeyPHGPAHVEUOMRTN-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.36
Rot. Bonds4

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

(3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 53193306) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID53193306
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol
SMILESOC(c1cccc(F)c1)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C17H20FNO2/c18-15-4-1-3-14(11-15)17(20)13-6-8-19(9-7-13)12-16-5-2-10-21-16/h1-5,10-11,13,17,20H,6-9,12H2
InChIKeyPHGPAHVEUOMRTN-UHFFFAOYSA-N
XLogP3.36
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of (3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol (CID 53193306) is (3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for (3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for (3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol is OC(c1cccc(F)c1)C1CCN(Cc2ccco2)CC1.
What is the InChIKey of (3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is PHGPAHVEUOMRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c18-15-4-1-3-14(11-15)17(20)13-6-8-19(9-7-13)12-16-5-2-10-21-16/h1-5,10-11,13,17,20H,6-9,12H2.
What are the key properties of (3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol?
(3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 289.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[1-(furan-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 53193306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).