1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone

C18H20FNOS — CID 22248264

IUPAC1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone
SMILESO=C(Cc1ccsc1F)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20FNOS/c19-18-16(8-11-22-18)12-17(21)15-6-9-20(10-7-15)13-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2
InChIKeyVPNMMNHMQOAWOO-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.91
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone

1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone (PubChem CID 22248264) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone
PubChem CID22248264
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone
SMILESO=C(Cc1ccsc1F)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20FNOS/c19-18-16(8-11-22-18)12-17(21)15-6-9-20(10-7-15)13-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2
InChIKeyVPNMMNHMQOAWOO-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone (CID 22248264) is 1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone is O=C(Cc1ccsc1F)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone?
The InChIKey is VPNMMNHMQOAWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c19-18-16(8-11-22-18)12-17(21)15-6-9-20(10-7-15)13-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone?
1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone has a molecular weight of 317.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-(2-fluorothiophen-3-yl)ethanone is sourced from PubChem (CID 22248264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).