(2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol

C13H19N3O3 — CID 66515936

IUPAC(2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol
SMILESN[C@@H](CO)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c14-11(9-17)10-4-5-12(13(8-10)16(18)19)15-6-2-1-3-7-15/h4-5,8,11,17H,1-3,6-7,9,14H2/t11-/m0/s1
InChIKeyAFLQYUVUTDVMIH-NSHDSACASA-N
MW265.31 g/mol
LogP1.58
Rot. Bonds4

About (2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol

(2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol (PubChem CID 66515936) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol
PubChem CID66515936
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol
SMILESN[C@@H](CO)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c14-11(9-17)10-4-5-12(13(8-10)16(18)19)15-6-2-1-3-7-15/h4-5,8,11,17H,1-3,6-7,9,14H2/t11-/m0/s1
InChIKeyAFLQYUVUTDVMIH-NSHDSACASA-N
XLogP1.58
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-(3-nitro-4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 170874629
(2S)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)acetic acid
CID 66513246
1-[4-(azepan-1-yl)-3-nitrophenyl]ethanol
CID 43505916
2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol
CID 77130261
4-[(1R)-1-amino-2-hydroxyethyl]-2-nitrobenzoic acid
CID 66514959
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675
(2S)-2-amino-2-[4-(dimethylamino)-3-nitrophenyl]ethanol
CID 66515040
(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
CID 171226598
1-(4-chloro-2-nitrophenyl)piperidine
CID 160686778
ethyl 2-amino-3-(3-nitro-4-piperidin-1-ylphenyl)propanoate
CID 170884816
2-(3-nitro-4-pyrrolidin-1-ylphenyl)ethanamine
CID 170868552

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol (CID 66515936) is (2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol is N[C@@H](CO)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol?
The InChIKey is AFLQYUVUTDVMIH-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O3/c14-11(9-17)10-4-5-12(13(8-10)16(18)19)15-6-2-1-3-7-15/h4-5,8,11,17H,1-3,6-7,9,14H2/t11-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol?
(2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol has a molecular weight of 265.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol is sourced from PubChem (CID 66515936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).