N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine

C14H21N3O3 — CID 114504788

IUPACN-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCN(C)CC2C)c1
InChIInChI=1S/C14H21N3O3/c1-10-9-16(2)7-6-12(10)15-13-8-11(20-3)4-5-14(13)17(18)19/h4-5,8,10,12,15H,6-7,9H2,1-3H3
InChIKeyQROIFJNNBRJTGV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.36
Rot. Bonds4

About N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine

N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine (PubChem CID 114504788) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine
PubChem CID114504788
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine
SMILESCOc1ccc([N+](=O)[O-])c(NC2CCN(C)CC2C)c1
InChIInChI=1S/C14H21N3O3/c1-10-9-16(2)7-6-12(10)15-13-8-11(20-3)4-5-14(13)17(18)19/h4-5,8,10,12,15H,6-7,9H2,1-3H3
InChIKeyQROIFJNNBRJTGV-UHFFFAOYSA-N
XLogP2.36
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.36
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'}

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Related Compounds

1,3-dimethyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 114504833
N-(1,3-dimethylpiperidin-4-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 115598638
1,3-dimethyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
CID 114504643
N-(5-methoxy-2-nitrophenyl)oxolan-3-amine
CID 80714205
N-(4-methoxy-2-nitrophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43081409
N-cyclohex-3-en-1-yl-5-methoxy-2-nitroaniline
CID 79033286
3-(5-methoxy-2-nitroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114630159
N-(5-methoxy-2-nitrophenyl)piperidin-1-amine
CID 83026142
N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline
CID 79034338
N-(2,6-dimethylcyclohexyl)-4-methoxy-2-nitroaniline
CID 43717852
(3S,4S)-4-(4-bromo-2-nitroanilino)-1-methylpiperidin-3-ol
CID 67336014
N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine
CID 115563832

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine (CID 114504788) is N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine is COc1ccc([N+](=O)[O-])c(NC2CCN(C)CC2C)c1.
What is the InChIKey of N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine?
The InChIKey is QROIFJNNBRJTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-9-16(2)7-6-12(10)15-13-8-11(20-3)4-5-14(13)17(18)19/h4-5,8,10,12,15H,6-7,9H2,1-3H3.
What are the key properties of N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine?
N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-nitrophenyl)-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114504788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).