2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one

C19H23NOS — CID 135065902

IUPAC2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one
SMILESCC(C(=O)c1cccs1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H23NOS/c1-15(19(21)18-8-5-13-22-18)20-11-9-17(10-12-20)14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3
InChIKeyOEDMNSPAJAZTRM-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one

2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one (PubChem CID 135065902) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one
PubChem CID135065902
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one
SMILESCC(C(=O)c1cccs1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H23NOS/c1-15(19(21)18-8-5-13-22-18)20-11-9-17(10-12-20)14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3
InChIKeyOEDMNSPAJAZTRM-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one (CID 135065902) is 2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one is CC(C(=O)c1cccs1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one?
The InChIKey is OEDMNSPAJAZTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-15(19(21)18-8-5-13-22-18)20-11-9-17(10-12-20)14-16-6-3-2-4-7-16/h2-8,13,15,17H,9-12,14H2,1H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one?
2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one has a molecular weight of 313.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 135065902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).