1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one

C17H25NO3 — CID 30266

IUPAC1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OCCN2CCCCC2)cc1O
InChIInChI=1S/C17H25NO3/c1-2-6-16(19)15-8-7-14(13-17(15)20)21-12-11-18-9-4-3-5-10-18/h7-8,13,20H,2-6,9-12H2,1H3
InChIKeyFRBSUQJHQBRFNT-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.24
Rot. Bonds7

About 1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one

1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one (PubChem CID 30266) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one.

Molecular Properties

Compound Name1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one
PubChem CID30266
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OCCN2CCCCC2)cc1O
InChIInChI=1S/C17H25NO3/c1-2-6-16(19)15-8-7-14(13-17(15)20)21-12-11-18-9-4-3-5-10-18/h7-8,13,20H,2-6,9-12H2,1H3
InChIKeyFRBSUQJHQBRFNT-UHFFFAOYSA-N
XLogP3.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 566846
(E)-1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]-3-[4-(2-piperidin-1-ylethoxy)phenyl]prop-2-en-1-one
CID 155564123
2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
CID 166906888
1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527
2-piperidin-1-ylethyl 4-butoxy-2-(2-piperidin-1-ylethyl)benzoate
CID 90023939
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 23294089
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
1-[2-nitro-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone
CID 104529862

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one?
The IUPAC name of 1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one (CID 30266) is 1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one.
What is the SMILES notation for 1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one?
The canonical SMILES for 1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one is CCCC(=O)c1ccc(OCCN2CCCCC2)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one?
The InChIKey is FRBSUQJHQBRFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-6-16(19)15-8-7-14(13-17(15)20)21-12-11-18-9-4-3-5-10-18/h7-8,13,20H,2-6,9-12H2,1H3.
What are the key properties of 1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one?
1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one has a molecular weight of 291.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one is sourced from PubChem (CID 30266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).