(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C13H18N2O2 — CID 107211671

IUPAC(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESCc1cccc(N)c1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C13H18N2O2/c1-9-4-2-6-11(14)12(9)13(17)15-7-3-5-10(16)8-15/h2,4,6,10,16H,3,5,7-8,14H2,1H3/t10-/m0/s1
InChIKeyXITZUGLBFVPYSV-JTQLQIEISA-N
MW234.30 g/mol
LogP1.17
Rot. Bonds1

About (2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107211671) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107211671
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESCc1cccc(N)c1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C13H18N2O2/c1-9-4-2-6-11(14)12(9)13(17)15-7-3-5-10(16)8-15/h2,4,6,10,16H,3,5,7-8,14H2,1H3/t10-/m0/s1
InChIKeyXITZUGLBFVPYSV-JTQLQIEISA-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

(2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102753
(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585622
(2-amino-6-methylphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666922
(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43502725
[(3S)-3-hydroxypiperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone
CID 107224584
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416766
(2-amino-6-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61116229
(2-amino-6-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372607

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107211671) is (2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is Cc1cccc(N)c1C(=O)N1CCC[C@H](O)C1.
What is the InChIKey of (2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is XITZUGLBFVPYSV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-2-6-11(14)12(9)13(17)15-7-3-5-10(16)8-15/h2,4,6,10,16H,3,5,7-8,14H2,1H3/t10-/m0/s1.
What are the key properties of (2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(2-amino-6-methylphenyl)-[(3S)-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 (2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107211671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).