4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one

C20H26N2O3 — CID 138385563

IUPAC4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(Cc3ccc(OCCO)cc3)CC2)cc1=O
InChIInChI=1S/C20H26N2O3/c1-21-9-6-18(14-20(21)24)17-7-10-22(11-8-17)15-16-2-4-19(5-3-16)25-13-12-23/h2-6,9,14,17,23H,7-8,10-13,15H2,1H3
InChIKeyGCDXAXOOXBOMFI-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.14
Rot. Bonds6

About 4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one

4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138385563) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138385563
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(Cc3ccc(OCCO)cc3)CC2)cc1=O
InChIInChI=1S/C20H26N2O3/c1-21-9-6-18(14-20(21)24)17-7-10-22(11-8-17)15-16-2-4-19(5-3-16)25-13-12-23/h2-6,9,14,17,23H,7-8,10-13,15H2,1H3
InChIKeyGCDXAXOOXBOMFI-UHFFFAOYSA-N
XLogP2.14
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138378268
4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384991
1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one
CID 138385382
1-methyl-4-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyridin-2-one
CID 138386123
4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138383113
4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384179
[1-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 29213317
N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 25044708
N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 25041633
3,4-dichloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25042420
1-methyl-4-piperidin-4-ylpyridin-2-one
CID 59627486
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one (CID 138385563) is 4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one is Cn1ccc(C2CCN(Cc3ccc(OCCO)cc3)CC2)cc1=O.
What is the InChIKey of 4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is GCDXAXOOXBOMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-21-9-6-18(14-20(21)24)17-7-10-22(11-8-17)15-16-2-4-19(5-3-16)25-13-12-23/h2-6,9,14,17,23H,7-8,10-13,15H2,1H3.
What are the key properties of 4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138385563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).