3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one

C14H20N2O2 — CID 43309005

IUPAC3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESNc1cccc(CCC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C14H20N2O2/c15-12-3-1-2-11(10-12)4-5-14(18)16-8-6-13(17)7-9-16/h1-3,10,13,17H,4-9,15H2
InChIKeyUHHREFOMSDUKHC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.18
Rot. Bonds3

About 3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one

3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 43309005) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID43309005
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESNc1cccc(CCC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C14H20N2O2/c15-12-3-1-2-11(10-12)4-5-14(18)16-8-6-13(17)7-9-16/h1-3,10,13,17H,4-9,15H2
InChIKeyUHHREFOMSDUKHC-UHFFFAOYSA-N
XLogP1.18
TPSA66.56 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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one 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

3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103495477
3-(3-aminophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66369331
3-(3-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 112623821
3-(3-aminophenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 115341158
3-(3-aminophenyl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107210628
3-(3-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561954
3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 43309137
methyl 1-[3-(3-aminophenyl)propanoyl]piperidine-3-carboxylate
CID 115533094
3-(3-aminophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 61409448
3-(3-aminophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489256
1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
CID 28711990
7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094685

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 43309005) is 3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one is Nc1cccc(CCC(=O)N2CCC(O)CC2)c1.
What is the InChIKey of 3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is UHHREFOMSDUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12-3-1-2-11(10-12)4-5-14(18)16-8-6-13(17)7-9-16/h1-3,10,13,17H,4-9,15H2.
What are the key properties of 3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 43309005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).