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

C14H19NO2 — CID 110465876

IUPAC2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C14H19NO2/c1-11-6-8-15(9-7-11)14(17)10-12-2-4-13(16)5-3-12/h2-5,11,16H,6-10H2,1H3
InChIKeySHEPCCMWZKQRDQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.19
Rot. Bonds2

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

2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 110465876) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID110465876
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C14H19NO2/c1-11-6-8-15(9-7-11)14(17)10-12-2-4-13(16)5-3-12/h2-5,11,16H,6-10H2,1H3
InChIKeySHEPCCMWZKQRDQ-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 79868676
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330
2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 63590667
4-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzonitrile
CID 62403502
2-(4-aminophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 119738132
1-(4-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769091
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone (CID 110465876) is 2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is SHEPCCMWZKQRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-6-8-15(9-7-11)14(17)10-12-2-4-13(16)5-3-12/h2-5,11,16H,6-10H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110465876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).