(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone

C15H22N2O3 — CID 107074802

IUPAC(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(O)ccc2N)C1
InChIInChI=1S/C15H22N2O3/c1-2-8-20-12-4-3-7-17(10-12)15(19)13-9-11(18)5-6-14(13)16/h5-6,9,12,18H,2-4,7-8,10,16H2,1H3
InChIKeyKHSRIDFPXXQDLL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.01
Rot. Bonds4

About (2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone

(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 107074802) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID107074802
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cc(O)ccc2N)C1
InChIInChI=1S/C15H22N2O3/c1-2-8-20-12-4-3-7-17(10-12)15(19)13-9-11(18)5-6-14(13)16/h5-6,9,12,18H,2-4,7-8,10,16H2,1H3
InChIKeyKHSRIDFPXXQDLL-UHFFFAOYSA-N
XLogP2.01
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone 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-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 107074957
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170144
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 54985459
(2-methyl-5-sulfanylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107026150
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361
(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103872801
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(3-ethoxypiperidin-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 103940151
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone (CID 107074802) is (2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2cc(O)ccc2N)C1.
What is the InChIKey of (2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is KHSRIDFPXXQDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-8-20-12-4-3-7-17(10-12)15(19)13-9-11(18)5-6-14(13)16/h5-6,9,12,18H,2-4,7-8,10,16H2,1H3.
What are the key properties of (2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone?
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 107074802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).