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

C16H23NO3 — CID 107713064

IUPAC2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccccc1CCO)C(=O)N1CCCCC1
InChIInChI=1S/C16H23NO3/c1-13(16(19)17-10-5-2-6-11-17)20-15-8-4-3-7-14(15)9-12-18/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3
InChIKeyLPISYNCBOUNVKD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.00
Rot. Bonds5

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

2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one (PubChem CID 107713064) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
PubChem CID107713064
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccccc1CCO)C(=O)N1CCCCC1
InChIInChI=1S/C16H23NO3/c1-13(16(19)17-10-5-2-6-11-17)20-15-8-4-3-7-14(15)9-12-18/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3
InChIKeyLPISYNCBOUNVKD-UHFFFAOYSA-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

2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 54931415
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78931197
1-(azepan-1-yl)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-1-one
CID 63364988
1-(azepan-1-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43908541
N-cyclopentyl-2-[2-(2-hydroxyethyl)phenoxy]propanamide
CID 107713127
2-(2-methoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981257
1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide
CID 43886059
2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 42904169
2-(2-nitrophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 4943757
2-(3-amino-2-methylphenoxy)-1-(azepan-1-yl)propan-1-one
CID 43437815

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one (CID 107713064) is 2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one is CC(Oc1ccccc1CCO)C(=O)N1CCCCC1.
What is the InChIKey of 2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one?
The InChIKey is LPISYNCBOUNVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13(16(19)17-10-5-2-6-11-17)20-15-8-4-3-7-14(15)9-12-18/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one?
2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one 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-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 107713064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).