1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone

C19H22N2OS — CID 78760913

IUPAC1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c22-19(15-23-18-8-4-5-11-20-18)21-12-9-17(10-13-21)14-16-6-2-1-3-7-16/h1-8,11,17H,9-10,12-15H2
InChIKeyUVFNETABBRWEGT-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone

1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 78760913) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone
PubChem CID78760913
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c22-19(15-23-18-8-4-5-11-20-18)21-12-9-17(10-13-21)14-16-6-2-1-3-7-16/h1-8,11,17H,9-10,12-15H2
InChIKeyUVFNETABBRWEGT-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-1-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]ethanone
CID 71800682
1-(4-benzylpiperidin-1-yl)-2-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone
CID 23965134
1-(4-benzylpiperidin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
CID 8706744
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
1-(4-benzylpiperidin-1-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 17455132
1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030337
1-(4-benzylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone
CID 8542830
1-(4-benzylpiperidin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4566190
1-(4-benzylpiperidin-1-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 55308953
1-(4-benzylpiperidin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 2707951

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone (CID 78760913) is 1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone is O=C(CSc1ccccn1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is UVFNETABBRWEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-19(15-23-18-8-4-5-11-20-18)21-12-9-17(10-13-21)14-16-6-2-1-3-7-16/h1-8,11,17H,9-10,12-15H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone?
1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone has a molecular weight of 326.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 78760913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).