3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine

C15H23N3O3 — CID 80743265

IUPAC3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine
SMILESCC(C)Oc1cc(N2CCC(N)C(C)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-10(2)21-14-7-12(6-13(8-14)18(19)20)17-5-4-15(16)11(3)9-17/h6-8,10-11,15H,4-5,9,16H2,1-3H3
InChIKeyRKTGEABCSQFQPW-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.56
Rot. Bonds4

About 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine

3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine (PubChem CID 80743265) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine
PubChem CID80743265
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine
SMILESCC(C)Oc1cc(N2CCC(N)C(C)C2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-10(2)21-14-7-12(6-13(8-14)18(19)20)17-5-4-15(16)11(3)9-17/h6-8,10-11,15H,4-5,9,16H2,1-3H3
InChIKeyRKTGEABCSQFQPW-UHFFFAOYSA-N
XLogP2.56
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
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 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-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

3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-ol
CID 114680943
1-[1-(3-methoxy-5-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 112627930
3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)azetidin-3-ol
CID 80743413
1-(3-nitro-5-propan-2-yloxyphenyl)-3-propan-2-ylazetidin-3-ol
CID 80743561
1-[1-(3-ethoxy-5-nitrophenyl)piperidin-4-yl]ethanamine
CID 80744489
1-[1-(3-nitro-5-propoxyphenyl)pyrrolidin-3-yl]ethanol
CID 115966599
3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 79880151
[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine
CID 113419535
(3aR,7aS)-2-(3-methoxy-5-nitrophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 80744254
1-[1-(3-nitrophenyl)piperidin-4-yl]ethanamine
CID 55215914
4-methyl-1-(3-nitrophenyl)piperidin-3-ol
CID 113347866
1-(5-bromo-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 79867412

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine?
The IUPAC name of 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine (CID 80743265) is 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine?
The canonical SMILES for 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine is CC(C)Oc1cc(N2CCC(N)C(C)C2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine?
The InChIKey is RKTGEABCSQFQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)21-14-7-12(6-13(8-14)18(19)20)17-5-4-15(16)11(3)9-17/h6-8,10-11,15H,4-5,9,16H2,1-3H3.
What are the key properties of 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine?
3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-nitro-5-propan-2-yloxyphenyl)piperidin-4-amine is sourced from PubChem (CID 80743265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).