(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone

C12H16N2O3 — CID 58736699

IUPAC(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCCC(O)C2)c1O
InChIInChI=1S/C12H16N2O3/c13-10-5-1-4-9(11(10)16)12(17)14-6-2-3-8(15)7-14/h1,4-5,8,15-16H,2-3,6-7,13H2
InChIKeyGWPDVRVZKIDZOE-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.57
Rot. Bonds1

About (3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone

(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 58736699) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID58736699
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCCC(O)C2)c1O
InChIInChI=1S/C12H16N2O3/c13-10-5-1-4-9(11(10)16)12(17)14-6-2-3-8(15)7-14/h1,4-5,8,15-16H,2-3,6-7,13H2
InChIKeyGWPDVRVZKIDZOE-UHFFFAOYSA-N
XLogP0.57
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 20772795
(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43502725
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 58736577
(3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211675
(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211671
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
(3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103993791
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 58736699) is (3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone is Nc1cccc(C(=O)N2CCCC(O)C2)c1O.
What is the InChIKey of (3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is GWPDVRVZKIDZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-10-5-1-4-9(11(10)16)12(17)14-6-2-3-8(15)7-14/h1,4-5,8,15-16H,2-3,6-7,13H2.
What are the key properties of (3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone?
(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 58736699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).