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

C13H18N2O2 — CID 43502725

IUPAC(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1c(N)cccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H18N2O2/c1-9-11(5-2-6-12(9)14)13(17)15-7-3-4-10(16)8-15/h2,5-6,10,16H,3-4,7-8,14H2,1H3
InChIKeyACXRJDNHDZGBEG-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.17
Rot. Bonds1

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

(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 43502725) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID43502725
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1c(N)cccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H18N2O2/c1-9-11(5-2-6-12(9)14)13(17)15-7-3-4-10(16)8-15/h2,5-6,10,16H,3-4,7-8,14H2,1H3
InChIKeyACXRJDNHDZGBEG-UHFFFAOYSA-N
XLogP1.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
(3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211675
(3-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 55247851
(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211671
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 20772795
1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 16785939
(3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61115004

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 43502725) is (3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone is Cc1c(N)cccc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is ACXRJDNHDZGBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-11(5-2-6-12(9)14)13(17)15-7-3-4-10(16)8-15/h2,5-6,10,16H,3-4,7-8,14H2,1H3.
What are the key properties of (3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone?
(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43502725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).