ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate

C16H23NO2S — CID 11277813

IUPACethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO2S/c1-2-19-16(18)13-20-15-8-10-17(11-9-15)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyDZJCJVHVOQDZTR-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.95
Rot. Bonds6

About ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate

ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate (PubChem CID 11277813) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
PubChem CID11277813
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Nameethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO2S/c1-2-19-16(18)13-20-15-8-10-17(11-9-15)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyDZJCJVHVOQDZTR-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]sulfanylacetate
CID 177337329
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl N-(1-benzylpiperidin-4-yl)-N-propylcarbamate
CID 19913772
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
3-[[4-(2-ethoxy-2-oxoethyl)piperidin-1-yl]methyl]benzoic acid
CID 122028667
ethyl 2-[(2R,4R)-1-benzyl-2-methyl-6-sulfanylidenepiperidin-4-yl]sulfanylacetate
CID 102070108
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate
CID 2846487
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
ethyl 2-[(2R,3R)-1-benzyl-2-tert-butylpyrrolidin-3-yl]acetate
CID 146168791
ethyl 2-(1-benzyl-5-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)acetate
CID 11695145
acetyl 2-(1-benzylpiperidin-4-yl)acetate
CID 175102662

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate (CID 11277813) is ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate is CCOC(=O)CSC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate?
The InChIKey is DZJCJVHVOQDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-2-19-16(18)13-20-15-8-10-17(11-9-15)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3.
What are the key properties of ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate?
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate has a molecular weight of 293.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate is sourced from PubChem (CID 11277813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).