3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine

C19H24N2S — CID 102542119

IUPAC3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine
SMILESCCSc1ncccc1C1CCCCN1Cc1ccccc1
InChIInChI=1S/C19H24N2S/c1-2-22-19-17(11-8-13-20-19)18-12-6-7-14-21(18)15-16-9-4-3-5-10-16/h3-5,8-11,13,18H,2,6-7,12,14-15H2,1H3
InChIKeyVOVABVAOMSFENM-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.92
Rot. Bonds5

About 3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine

3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine (PubChem CID 102542119) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine.

Molecular Properties

Compound Name3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine
PubChem CID102542119
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine
SMILESCCSc1ncccc1C1CCCCN1Cc1ccccc1
InChIInChI=1S/C19H24N2S/c1-2-22-19-17(11-8-13-20-19)18-12-6-7-14-21(18)15-16-9-4-3-5-10-16/h3-5,8-11,13,18H,2,6-7,12,14-15H2,1H3
InChIKeyVOVABVAOMSFENM-UHFFFAOYSA-N
XLogP4.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylpiperidin-2-yl)-2-tert-butylsulfanylpyridine
CID 102542247
3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine
CID 102542292
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541932
1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine
CID 102541676
3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine
CID 102540253
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
2-[(2R)-1-benzylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92574832
5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542992
2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792
1-benzyl-2-fluoropiperidine
CID 54431864

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine?
The IUPAC name of 3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine (CID 102542119) is 3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine.
What is the SMILES notation for 3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine?
The canonical SMILES for 3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine is CCSc1ncccc1C1CCCCN1Cc1ccccc1.
What is the InChIKey of 3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine?
The InChIKey is VOVABVAOMSFENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-2-22-19-17(11-8-13-20-19)18-12-6-7-14-21(18)15-16-9-4-3-5-10-16/h3-5,8-11,13,18H,2,6-7,12,14-15H2,1H3.
What are the key properties of 3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine?
3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine has a molecular weight of 312.48 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine is sourced from PubChem (CID 102542119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).