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

C14H20N2O3 — CID 107211675

IUPAC(3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESCCOc1c(N)cccc1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C14H20N2O3/c1-2-19-13-11(6-3-7-12(13)15)14(18)16-8-4-5-10(17)9-16/h3,6-7,10,17H,2,4-5,8-9,15H2,1H3/t10-/m0/s1
InChIKeyNHSWAUOJAWSENS-JTQLQIEISA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds3

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

(3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107211675) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107211675
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESCCOc1c(N)cccc1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C14H20N2O3/c1-2-19-13-11(6-3-7-12(13)15)14(18)16-8-4-5-10(17)9-16/h3,6-7,10,17H,2,4-5,8-9,15H2,1H3/t10-/m0/s1
InChIKeyNHSWAUOJAWSENS-JTQLQIEISA-N
XLogP1.26
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43502725
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211671
(3-bromo-2-ethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 146464564
(2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607460
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 20772795
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
(2-amino-4,5-dimethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211722
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107211675) is (3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is CCOc1c(N)cccc1C(=O)N1CCC[C@H](O)C1.
What is the InChIKey of (3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is NHSWAUOJAWSENS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-13-11(6-3-7-12(13)15)14(18)16-8-4-5-10(17)9-16/h3,6-7,10,17H,2,4-5,8-9,15H2,1H3/t10-/m0/s1.
What are the key properties of (3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 264.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107211675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).