2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone

C16H23NO3 — CID 95763117

IUPAC2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC([C@H](O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO3/c1-2-20-12-15(18)17-10-8-14(9-11-17)16(19)13-6-4-3-5-7-13/h3-7,14,16,19H,2,8-12H2,1H3/t16-/m1/s1
InChIKeyFSQWBKMTQWJZLR-MRXNPFEDSA-N
MW277.36 g/mol
LogP2.00
Rot. Bonds5

About 2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone

2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 95763117) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
PubChem CID95763117
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC([C@H](O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO3/c1-2-20-12-15(18)17-10-8-14(9-11-17)16(19)13-6-4-3-5-7-13/h3-7,14,16,19H,2,8-12H2,1H3/t16-/m1/s1
InChIKeyFSQWBKMTQWJZLR-MRXNPFEDSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
2-(2,6-dimethylphenoxy)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 46445731
2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 31059122
2-(2,4-dimethylphenoxy)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 134023893
2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 110883117
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 111110060
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 46511032
2-[2-(4-benzhydrylpiperidin-1-yl)-2-oxoethoxy]acetate;2-hydroxypropylazanium
CID 70572774
2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 55589570
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110891683

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone (CID 95763117) is 2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone is CCOCC(=O)N1CCC([C@H](O)c2ccccc2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is FSQWBKMTQWJZLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-12-15(18)17-10-8-14(9-11-17)16(19)13-6-4-3-5-7-13/h3-7,14,16,19H,2,8-12H2,1H3/t16-/m1/s1.
What are the key properties of 2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95763117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).