2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone

C16H23NO3 — CID 78930779

IUPAC2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
SMILESCC[C@H](O)c1ccccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C16H23NO3/c1-2-14(18)13-8-4-5-9-15(13)20-12-16(19)17-10-6-3-7-11-17/h4-5,8-9,14,18H,2-3,6-7,10-12H2,1H3/t14-/m0/s1
InChIKeyHRYGPSVEOHXEAH-AWEZNQCLSA-N
MW277.36 g/mol
LogP2.52
Rot. Bonds5

About 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone

2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone (PubChem CID 78930779) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
PubChem CID78930779
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
SMILESCC[C@H](O)c1ccccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C16H23NO3/c1-2-14(18)13-8-4-5-9-15(13)20-12-16(19)17-10-6-3-7-11-17/h4-5,8-9,14,18H,2-3,6-7,10-12H2,1H3/t14-/m0/s1
InChIKeyHRYGPSVEOHXEAH-AWEZNQCLSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43503608
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylethanone
CID 78930986
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86891172
2-methoxy-N-[(1S)-1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 94620134
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
1-[2-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol
CID 43503527
2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901922
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone (CID 78930779) is 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone is CC[C@H](O)c1ccccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is HRYGPSVEOHXEAH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-14(18)13-8-4-5-9-15(13)20-12-16(19)17-10-6-3-7-11-17/h4-5,8-9,14,18H,2-3,6-7,10-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone?
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 277.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 78930779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).