1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone

C16H23NO3 — CID 2968485

IUPAC1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC(O)CN1CCCCC1
InChIInChI=1S/C16H23NO3/c1-13(18)15-7-3-4-8-16(15)20-12-14(19)11-17-9-5-2-6-10-17/h3-4,7-8,14,19H,2,5-6,9-12H2,1H3
InChIKeyCKFCUQCADGWOMJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.11
Rot. Bonds6

About 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone

1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone (PubChem CID 2968485) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
PubChem CID2968485
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC(O)CN1CCCCC1
InChIInChI=1S/C16H23NO3/c1-13(18)15-7-3-4-8-16(15)20-12-14(19)11-17-9-5-2-6-10-17/h3-4,7-8,14,19H,2,5-6,9-12H2,1H3
InChIKeyCKFCUQCADGWOMJ-UHFFFAOYSA-N
XLogP2.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone;dihydrochloride
CID 2966841
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451
1-[2-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone
CID 1263693
1-[2-[3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 138959623
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
1-(azepan-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol chloride
CID 46863854
1-[4-[[2-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 97285514
3-(4-fluorophenyl)-1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]propan-1-one;hydrochloride
CID 57400744
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone (CID 2968485) is 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone is CC(=O)c1ccccc1OCC(O)CN1CCCCC1.
What is the InChIKey of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone?
The InChIKey is CKFCUQCADGWOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13(18)15-7-3-4-8-16(15)20-12-14(19)11-17-9-5-2-6-10-17/h3-4,7-8,14,19H,2,5-6,9-12H2,1H3.
What are the key properties of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone?
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone is sourced from PubChem (CID 2968485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).