1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone

C13H24N2O2S — CID 114678293

IUPAC1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone
SMILESCC1CN(C(=O)CSC2CCNCC2)CCC1O
InChIInChI=1S/C13H24N2O2S/c1-10-8-15(7-4-12(10)16)13(17)9-18-11-2-5-14-6-3-11/h10-12,14,16H,2-9H2,1H3
InChIKeyAJYVZGDRDBPYNM-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.70
Rot. Bonds3

About 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone

1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone (PubChem CID 114678293) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone
PubChem CID114678293
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone
SMILESCC1CN(C(=O)CSC2CCNCC2)CCC1O
InChIInChI=1S/C13H24N2O2S/c1-10-8-15(7-4-12(10)16)13(17)9-18-11-2-5-14-6-3-11/h10-12,14,16H,2-9H2,1H3
InChIKeyAJYVZGDRDBPYNM-UHFFFAOYSA-N
XLogP0.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394622
1-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394621
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 114680336
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-piperidin-4-ylsulfanylethanone
CID 114626671
N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide
CID 114628005
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114627527
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114678152
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-sulfanylethanone
CID 114683823
N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide
CID 114626929
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102656658
N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide
CID 114626952
1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 114501416

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone?
The IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone (CID 114678293) is 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone?
The canonical SMILES for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone is CC1CN(C(=O)CSC2CCNCC2)CCC1O.
What is the InChIKey of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone?
The InChIKey is AJYVZGDRDBPYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-10-8-15(7-4-12(10)16)13(17)9-18-11-2-5-14-6-3-11/h10-12,14,16H,2-9H2,1H3.
What are the key properties of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone?
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone has a molecular weight of 272.41 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone is sourced from PubChem (CID 114678293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).