3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine

C15H23N3O3 — CID 115553935

IUPAC3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine
SMILESCc1cccc([N+](=O)[O-])c1N1CCC(OCCCN)CC1
InChIInChI=1S/C15H23N3O3/c1-12-4-2-5-14(18(19)20)15(12)17-9-6-13(7-10-17)21-11-3-8-16/h2,4-5,13H,3,6-11,16H2,1H3
InChIKeyFYNYORDSXYNNII-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.24
Rot. Bonds6

About 3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine

3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 115553935) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID115553935
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine
SMILESCc1cccc([N+](=O)[O-])c1N1CCC(OCCCN)CC1
InChIInChI=1S/C15H23N3O3/c1-12-4-2-5-14(18(19)20)15(12)17-9-6-13(7-10-17)21-11-3-8-16/h2,4-5,13H,3,6-11,16H2,1H3
InChIKeyFYNYORDSXYNNII-UHFFFAOYSA-N
XLogP2.24
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-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-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]oxypropan-1-amine
CID 79736549
3-[1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992677
3-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]oxypropan-1-amine
CID 79736390
3-[1-(4-iodo-2-nitrophenyl)piperidin-4-yl]oxypropan-1-amine
CID 79735870
3-[1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992686
2-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]acetic acid
CID 115551122
3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine
CID 115553937
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 119662771
(3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine
CID 102986574
3-[1-(3,6-dimethyl-2-nitrophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 120712468
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2-nitrophenoxy)propan-1-one;hydrochloride
CID 119663370
methyl 1-(2-methyl-6-nitrophenyl)pyrrolidine-3-carboxylate
CID 78918362

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine (CID 115553935) is 3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine is Cc1cccc([N+](=O)[O-])c1N1CCC(OCCCN)CC1.
What is the InChIKey of 3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is FYNYORDSXYNNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12-4-2-5-14(18(19)20)15(12)17-9-6-13(7-10-17)21-11-3-8-16/h2,4-5,13H,3,6-11,16H2,1H3.
What are the key properties of 3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 115553935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).