1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone

C16H23NO2 — CID 83056595

IUPAC1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone
SMILESCCCC1CCCCN1c1ccc(C(C)=O)c(O)c1
InChIInChI=1S/C16H23NO2/c1-3-6-13-7-4-5-10-17(13)14-8-9-15(12(2)18)16(19)11-14/h8-9,11,13,19H,3-7,10H2,1-2H3
InChIKeyQXLRHJFHXMZGDB-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.75
Rot. Bonds4

About 1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone

1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone (PubChem CID 83056595) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone
PubChem CID83056595
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone
SMILESCCCC1CCCCN1c1ccc(C(C)=O)c(O)c1
InChIInChI=1S/C16H23NO2/c1-3-6-13-7-4-5-10-17(13)14-8-9-15(12(2)18)16(19)11-14/h8-9,11,13,19H,3-7,10H2,1-2H3
InChIKeyQXLRHJFHXMZGDB-UHFFFAOYSA-N
XLogP3.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone
CID 79922071
(E)-3-[2-methyl-4-(2-propylpiperidin-1-yl)phenyl]prop-2-enoic acid
CID 83044280
1-[4-(2,4-dimethyl-1,4-diazepan-1-yl)-2-hydroxyphenyl]ethanone
CID 114086882
1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone
CID 130547309
1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone
CID 79601097
2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128
1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione
CID 83044090
4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol
CID 68535089
5-(2-ethylpiperidin-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603663
1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone
CID 79601191
1-(4-acetyl-3-hydroxyphenyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196323
3-(2-propylpiperidin-1-yl)benzonitrile
CID 102817123

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone (CID 83056595) is 1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone is CCCC1CCCCN1c1ccc(C(C)=O)c(O)c1.
What is the InChIKey of 1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is QXLRHJFHXMZGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-6-13-7-4-5-10-17(13)14-8-9-15(12(2)18)16(19)11-14/h8-9,11,13,19H,3-7,10H2,1-2H3.
What are the key properties of 1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone?
1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 83056595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).