2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine

C15H23N3O3 — CID 114695421

IUPAC2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine
SMILESCC(C)Oc1cccc(NC2CCCNC2C)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-10(2)21-14-8-4-6-13(15(14)18(19)20)17-12-7-5-9-16-11(12)3/h4,6,8,10-12,16-17H,5,7,9H2,1-3H3
InChIKeyUPIBKFLBMUTCDP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.93
Rot. Bonds5

About 2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine

2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine (PubChem CID 114695421) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine
PubChem CID114695421
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine
SMILESCC(C)Oc1cccc(NC2CCCNC2C)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-10(2)21-14-8-4-6-13(15(14)18(19)20)17-12-7-5-9-16-11(12)3/h4,6,8,10-12,16-17H,5,7,9H2,1-3H3
InChIKeyUPIBKFLBMUTCDP-UHFFFAOYSA-N
XLogP2.93
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.93
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 2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine 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

2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine
CID 114041911
N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine
CID 114695322
N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695569
N-[2-(difluoromethyl)-4-nitrophenyl]-2-methylpiperidin-3-amine
CID 114695531
N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine
CID 107260546
N-(2-methylpiperidin-3-yl)-4-nitro-1,3-benzoxazol-2-amine
CID 114695633
1-fluoro-2-nitro-3-propan-2-yloxybenzene
CID 53255569
N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 120574067
3-fluoro-N-(2-methylpiperidin-3-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 120726621
2-[2-(3-ethoxy-2-nitroanilino)cyclopentyl]ethanol
CID 133496156
4-(2-nitro-3-propan-2-yloxyanilino)butan-1-ol
CID 106842771
3-ethoxy-2-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]aniline
CID 104973218

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine?
The IUPAC name of 2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine (CID 114695421) is 2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine.
What is the SMILES notation for 2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine?
The canonical SMILES for 2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine is CC(C)Oc1cccc(NC2CCCNC2C)c1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine?
The InChIKey is UPIBKFLBMUTCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)21-14-8-4-6-13(15(14)18(19)20)17-12-7-5-9-16-11(12)3/h4,6,8,10-12,16-17H,5,7,9H2,1-3H3.
What are the key properties of 2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine?
2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine has a molecular weight of 293.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine is sourced from PubChem (CID 114695421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).