(2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone

C16H16FNOS — CID 71786954

IUPAC(2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C16H16FNOS/c17-15-4-2-1-3-14(15)16(19)18-8-5-12(6-9-18)13-7-10-20-11-13/h1-4,7,10-12H,5-6,8-9H2
InChIKeyPEIWJIMDVOLXPI-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.91
Rot. Bonds2

About (2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone

(2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone (PubChem CID 71786954) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is (2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
PubChem CID71786954
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name(2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C16H16FNOS/c17-15-4-2-1-3-14(15)16(19)18-8-5-12(6-9-18)13-7-10-20-11-13/h1-4,7,10-12H,5-6,8-9H2
InChIKeyPEIWJIMDVOLXPI-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone (CID 71786954) is (2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone is O=C(c1ccccc1F)N1CCC(c2ccsc2)CC1.
What is the InChIKey of (2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The InChIKey is PEIWJIMDVOLXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c17-15-4-2-1-3-14(15)16(19)18-8-5-12(6-9-18)13-7-10-20-11-13/h1-4,7,10-12H,5-6,8-9H2.
What are the key properties of (2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
(2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71786954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).