(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone

C14H20N2O2 — CID 113228287

IUPAC(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(N)c(O)c2)C1
InChIInChI=1S/C14H20N2O2/c1-9-5-10(2)8-16(7-9)14(18)11-3-4-12(15)13(17)6-11/h3-4,6,9-10,17H,5,7-8,15H2,1-2H3
InChIKeyYNKRKCJSPFDQBH-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.09
Rot. Bonds1

About (4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone

(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 113228287) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID113228287
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(N)c(O)c2)C1
InChIInChI=1S/C14H20N2O2/c1-9-5-10(2)8-16(7-9)14(18)11-3-4-12(15)13(17)6-11/h3-4,6,9-10,17H,5,7-8,15H2,1-2H3
InChIKeyYNKRKCJSPFDQBH-UHFFFAOYSA-N
XLogP2.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462
methyl 1-(4-amino-3-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylate
CID 107075695
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093
(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 28689911
(4-amino-3-hydroxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107075598
(4-amino-3-hydroxyphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 107074951
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
(4-amino-3-hydroxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107075245
methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate
CID 107075785
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 113228287) is (4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2ccc(N)c(O)c2)C1.
What is the InChIKey of (4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is YNKRKCJSPFDQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-10(2)8-16(7-9)14(18)11-3-4-12(15)13(17)6-11/h3-4,6,9-10,17H,5,7-8,15H2,1-2H3.
What are the key properties of (4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 113228287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).