2-methyl-1-(4-nitrophenyl)piperidin-4-amine

C12H17N3O2 — CID 115313391

IUPAC2-methyl-1-(4-nitrophenyl)piperidin-4-amine
SMILESCC1CC(N)CCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O2/c1-9-8-10(13)6-7-14(9)11-2-4-12(5-3-11)15(16)17/h2-5,9-10H,6-8,13H2,1H3
InChIKeyKDBCQSNQPMMQHQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.91
Rot. Bonds2

About 2-methyl-1-(4-nitrophenyl)piperidin-4-amine

2-methyl-1-(4-nitrophenyl)piperidin-4-amine (PubChem CID 115313391) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-1-(4-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(4-nitrophenyl)piperidin-4-amine
PubChem CID115313391
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-methyl-1-(4-nitrophenyl)piperidin-4-amine
SMILESCC1CC(N)CCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O2/c1-9-8-10(13)6-7-14(9)11-2-4-12(5-3-11)15(16)17/h2-5,9-10H,6-8,13H2,1H3
InChIKeyKDBCQSNQPMMQHQ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
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

1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 115313378
2-methyl-1-(5-methyl-2-nitrophenyl)piperidin-4-amine
CID 113284668
2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine
CID 103964815
4-(4-amino-2-methylpiperidin-1-yl)-2-chlorobenzonitrile
CID 115313477
1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine
CID 54975867
5-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 115490468
(4-amino-2-methylpiperidin-1-yl)-(2-fluoro-5-nitrophenyl)methanone
CID 115312191
2-methyl-1-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperidin-4-amine
CID 115313596
2-methoxy-1-(4-nitrophenyl)pyrrolidine
CID 90244532
2-(4-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 123155106
3-methyl-1-(4-nitrophenyl)pyrazolidine
CID 140973960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-nitrophenyl)piperidin-4-amine?
The IUPAC name of 2-methyl-1-(4-nitrophenyl)piperidin-4-amine (CID 115313391) is 2-methyl-1-(4-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(4-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 2-methyl-1-(4-nitrophenyl)piperidin-4-amine is CC1CC(N)CCN1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-1-(4-nitrophenyl)piperidin-4-amine?
The InChIKey is KDBCQSNQPMMQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-8-10(13)6-7-14(9)11-2-4-12(5-3-11)15(16)17/h2-5,9-10H,6-8,13H2,1H3.
What are the key properties of 2-methyl-1-(4-nitrophenyl)piperidin-4-amine?
2-methyl-1-(4-nitrophenyl)piperidin-4-amine has a molecular weight of 235.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 115313391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).