(3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol

C16H18FNO2 — CID 13469716

IUPAC(3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol
SMILESCN1CC[C@](O)(c2ccco2)[C@@H](c2ccccc2F)C1
InChIInChI=1S/C16H18FNO2/c1-18-9-8-16(19,15-7-4-10-20-15)13(11-18)12-5-2-3-6-14(12)17/h2-7,10,13,19H,8-9,11H2,1H3/t13-,16-/m1/s1
InChIKeyAYKPEYJBNSNZQI-CZUORRHYSA-N
MW275.32 g/mol
LogP2.73
Rot. Bonds2

About (3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol

(3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol (PubChem CID 13469716) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol
PubChem CID13469716
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol
SMILESCN1CC[C@](O)(c2ccco2)[C@@H](c2ccccc2F)C1
InChIInChI=1S/C16H18FNO2/c1-18-9-8-16(19,15-7-4-10-20-15)13(11-18)12-5-2-3-6-14(12)17/h2-7,10,13,19H,8-9,11H2,1H3/t13-,16-/m1/s1
InChIKeyAYKPEYJBNSNZQI-CZUORRHYSA-N
XLogP2.73
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol?
The IUPAC name of (3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol (CID 13469716) is (3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol is CN1CC[C@](O)(c2ccco2)[C@@H](c2ccccc2F)C1.
What is the InChIKey of (3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol?
The InChIKey is AYKPEYJBNSNZQI-CZUORRHYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-18-9-8-16(19,15-7-4-10-20-15)13(11-18)12-5-2-3-6-14(12)17/h2-7,10,13,19H,8-9,11H2,1H3/t13-,16-/m1/s1.
What are the key properties of (3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol?
(3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol has a molecular weight of 275.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(2-fluorophenyl)-4-(furan-2-yl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 13469716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).