1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone

C14H19NO2 — CID 43228420

IUPAC1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1CC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H19NO2/c1-11-4-2-3-9-15(11)10-14(17)12-5-7-13(16)8-6-12/h5-8,11,16H,2-4,9-10H2,1H3
InChIKeyRKNXXBKJJKFJBU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.45
Rot. Bonds3

About 1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone

1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone (PubChem CID 43228420) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
PubChem CID43228420
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1CC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H19NO2/c1-11-4-2-3-9-15(11)10-14(17)12-5-7-13(16)8-6-12/h5-8,11,16H,2-4,9-10H2,1H3
InChIKeyRKNXXBKJJKFJBU-UHFFFAOYSA-N
XLogP2.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228407
1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43794417
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228414
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526
1-(2-fluorophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 5149362
1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62617497
4-[4-(2-methylpiperidin-1-yl)butyl]phenol
CID 82187998
2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43796516
1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43794419
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-methylphenyl)ethanone
CID 116635378
1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 60680985
1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 43794410

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone (CID 43228420) is 1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1CC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is RKNXXBKJJKFJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-4-2-3-9-15(11)10-14(17)12-5-7-13(16)8-6-12/h5-8,11,16H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone?
1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43228420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).