(3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine

C12H17N3O2 — CID 102986574

IUPAC(3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine
SMILESCc1cccc([N+](=O)[O-])c1N1CCC[C@@H](N)C1
InChIInChI=1S/C12H17N3O2/c1-9-4-2-6-11(15(16)17)12(9)14-7-3-5-10(13)8-14/h2,4,6,10H,3,5,7-8,13H2,1H3/t10-/m1/s1
InChIKeyXWWPDINNOAMOJX-SNVBAGLBSA-N
MW235.29 g/mol
LogP1.83
Rot. Bonds2

About (3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine

(3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine (PubChem CID 102986574) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine
PubChem CID102986574
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine
SMILESCc1cccc([N+](=O)[O-])c1N1CCC[C@@H](N)C1
InChIInChI=1S/C12H17N3O2/c1-9-4-2-6-11(15(16)17)12(9)14-7-3-5-10(13)8-14/h2,4,6,10H,3,5,7-8,13H2,1H3/t10-/m1/s1
InChIKeyXWWPDINNOAMOJX-SNVBAGLBSA-N
XLogP1.83
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide
CID 133341822
3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine
CID 115553937
methyl 2-methyl-2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]propanoate
CID 133444494
methyl 1-(2-methyl-6-nitrophenyl)pyrrolidine-3-carboxylate
CID 78918362
1-[1-(2-methyl-6-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 112627908
1-(2-methyl-6-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 113333845
1-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]ethanamine
CID 115553962
(3R)-1-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 102985903
2-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]acetic acid
CID 115551122
methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate
CID 78926201
2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine
CID 133357599
3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine
CID 115553935

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine (CID 102986574) is (3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine is Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine?
The InChIKey is XWWPDINNOAMOJX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-4-2-6-11(15(16)17)12(9)14-7-3-5-10(13)8-14/h2,4,6,10H,3,5,7-8,13H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine?
(3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine has a molecular weight of 235.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine is sourced from PubChem (CID 102986574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).