N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine

C14H21N3O3 — CID 60780977

IUPACN-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine
SMILESCCOc1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3/c1-3-20-12-4-5-13(14(10-12)17(18)19)15-11-6-8-16(2)9-7-11/h4-5,10-11,15H,3,6-9H2,1-2H3
InChIKeyIFRPPPXMZZGJIF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.50
Rot. Bonds5

About N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine

N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine (PubChem CID 60780977) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine
PubChem CID60780977
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine
SMILESCCOc1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3/c1-3-20-12-4-5-13(14(10-12)17(18)19)15-11-6-8-16(2)9-7-11/h4-5,10-11,15H,3,6-9H2,1-2H3
InChIKeyIFRPPPXMZZGJIF-UHFFFAOYSA-N
XLogP2.50
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(3-methylcyclohexyl)-2-nitroaniline
CID 60780992
N-[4-(difluoromethyl)-2-nitrophenyl]-1-methylpiperidin-4-amine
CID 122157101
2-[4-(4-methoxy-2-nitroanilino)piperidin-1-yl]acetonitrile
CID 63625912
4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide
CID 9160811
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]-2-nitroaniline
CID 62657724
4-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
N-(4-bromo-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 43225000
N-(5-ethoxy-2-nitrophenyl)-4-methylpiperazin-1-amine
CID 22922513
1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine
CID 60970857
N-(2,2-dimethylpropyl)-4-ethoxy-2-nitroaniline
CID 61323922
3-nitro-4-[(1-propylpiperidin-4-yl)amino]benzaldehyde
CID 78911630
3-[(1-methylpiperidin-4-yl)amino]-4-nitrobenzoic acid
CID 82784640

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine (CID 60780977) is N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine is CCOc1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine?
The InChIKey is IFRPPPXMZZGJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-20-12-4-5-13(14(10-12)17(18)19)15-11-6-8-16(2)9-7-11/h4-5,10-11,15H,3,6-9H2,1-2H3.
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine?
N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 60780977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).