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

C14H20N2O2 — CID 102739317

IUPAC(2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(O)ccc2N)CC1C
InChIInChI=1S/C14H20N2O2/c1-9-5-6-16(8-10(9)2)14(18)12-7-11(17)3-4-13(12)15/h3-4,7,9-10,17H,5-6,8,15H2,1-2H3
InChIKeyJQKAGDALZLPVIY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.09
Rot. Bonds1

About (2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone

(2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone (PubChem CID 102739317) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
PubChem CID102739317
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(O)ccc2N)CC1C
InChIInChI=1S/C14H20N2O2/c1-9-5-6-16(8-10(9)2)14(18)12-7-11(17)3-4-13(12)15/h3-4,7,9-10,17H,5-6,8,15H2,1-2H3
InChIKeyJQKAGDALZLPVIY-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 107073666
(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 107074957
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871730
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802
(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103892642
(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 103878368
(2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871773
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819
(2-amino-5-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112623690
[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
CID 107074607
(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107075240

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone (CID 102739317) is (2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(O)ccc2N)CC1C.
What is the InChIKey of (2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is JQKAGDALZLPVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-6-16(8-10(9)2)14(18)12-7-11(17)3-4-13(12)15/h3-4,7,9-10,17H,5-6,8,15H2,1-2H3.
What are the key properties of (2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone?
(2-amino-5-hydroxyphenyl)-(3,4-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 (2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 102739317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).