2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one

C16H23NO3 — CID 78931197

IUPAC2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccccc1[C@H](C)O)C(=O)N1CCCCC1
InChIInChI=1S/C16H23NO3/c1-12(18)14-8-4-5-9-15(14)20-13(2)16(19)17-10-6-3-7-11-17/h4-5,8-9,12-13,18H,3,6-7,10-11H2,1-2H3/t12-,13?/m0/s1
InChIKeyNOQFOQWMKWKESF-UEWDXFNNSA-N
MW277.36 g/mol
LogP2.52
Rot. Bonds4

About 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one

2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one (PubChem CID 78931197) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
PubChem CID78931197
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccccc1[C@H](C)O)C(=O)N1CCCCC1
InChIInChI=1S/C16H23NO3/c1-12(18)14-8-4-5-9-15(14)20-13(2)16(19)17-10-6-3-7-11-17/h4-5,8-9,12-13,18H,3,6-7,10-11H2,1-2H3/t12-,13?/m0/s1
InChIKeyNOQFOQWMKWKESF-UEWDXFNNSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholine, 4-((2,4-dimethylphenoxy)acetyl)-
CID 876380
Morpholine, 1-((2,5-dimethylphenoxy)acetyl)-
CID 920934
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
CID 2977623
1-(4-Benzylpiperidin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 6471824
1-(4-Morpholinyl)-2-(4-phenylphenoxy)-1-propanone
CID 2968920
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 729861
1-(2-(2-Hydroxy-3-(piperidin-1-yl)propoxy)phenyl)-3-phenylpropan-1-ol
CID 13374981
2-(4-Methoxyphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 2952398
1-(2,6-Dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 3246757
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride
CID 6602904
2-methoxy-N-({1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-N-methylacetamide
CID 23723551
(2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
CID 71456921

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one (CID 78931197) is 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one is CC(Oc1ccccc1[C@H](C)O)C(=O)N1CCCCC1.
What is the InChIKey of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one?
The InChIKey is NOQFOQWMKWKESF-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(18)14-8-4-5-9-15(14)20-13(2)16(19)17-10-6-3-7-11-17/h4-5,8-9,12-13,18H,3,6-7,10-11H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one?
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 78931197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).