2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone

C14H20N2O2 — CID 80740895

IUPAC2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCCN(C(=O)Cc2ccccc2O)C1
InChIInChI=1S/C14H20N2O2/c1-15-12-6-4-8-16(10-12)14(18)9-11-5-2-3-7-13(11)17/h2-3,5,7,12,15,17H,4,6,8-10H2,1H3
InChIKeyMDOHVCKOJNAHBZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.15
Rot. Bonds3

About 2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone

2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone (PubChem CID 80740895) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
PubChem CID80740895
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCCN(C(=O)Cc2ccccc2O)C1
InChIInChI=1S/C14H20N2O2/c1-15-12-6-4-8-16(10-12)14(18)9-11-5-2-3-7-13(11)17/h2-3,5,7,12,15,17H,4,6,8-10H2,1H3
InChIKeyMDOHVCKOJNAHBZ-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 83749694
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 124574868
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673
3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575658
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394
1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119259854
2-(1,2-benzoxazol-3-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534270
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 80740906
2-(2,5-difluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119490122
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78992664

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone (CID 80740895) is 2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone is CNC1CCCN(C(=O)Cc2ccccc2O)C1.
What is the InChIKey of 2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is MDOHVCKOJNAHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-12-6-4-8-16(10-12)14(18)9-11-5-2-3-7-13(11)17/h2-3,5,7,12,15,17H,4,6,8-10H2,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone?
2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 80740895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).