N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine

C13H19N3O3 — CID 83014373

IUPACN-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine
SMILESO=[N+]([O-])c1ccc(OCCNN2CCCCC2)cc1
InChIInChI=1S/C13H19N3O3/c17-16(18)12-4-6-13(7-5-12)19-11-8-14-15-9-2-1-3-10-15/h4-7,14H,1-3,8-11H2
InChIKeySYGTXFQBNVUACA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.96
Rot. Bonds6

About N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine

N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine (PubChem CID 83014373) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine
PubChem CID83014373
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine
SMILESO=[N+]([O-])c1ccc(OCCNN2CCCCC2)cc1
InChIInChI=1S/C13H19N3O3/c17-16(18)12-4-6-13(7-5-12)19-11-8-14-15-9-2-1-3-10-15/h4-7,14H,1-3,8-11H2
InChIKeySYGTXFQBNVUACA-UHFFFAOYSA-N
XLogP1.96
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.96
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'}

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Related Compounds

1-[3-(4-nitrophenoxy)propyl]pyrrolidine
CID 2232563
1-[2-(4-nitrophenoxy)ethyl]pyrrolidine;2-pyrrolidin-1-ylethanol
CID 158202191
(2R)-N-[2-(4-nitrophenoxy)ethyl]butan-2-amine
CID 2182561
N-[(1-methylcyclopentyl)methyl]-2-(4-nitrophenoxy)ethanamine
CID 63823349
2-cyclopentyloxy-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 63828920
[1-[2-(4-nitrophenoxy)ethylamino]cyclopentyl]methanol
CID 62518469
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
N-[2-(4-nitrophenoxy)ethyl]propan-1-amine;hydrochloride
CID 70552691
2,2-difluoro-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 113303726
2-methoxy-2-methylpropane;1-[3-(4-nitrophenoxy)propyl]pyrrolidine
CID 69091522
N-[3-(4-nitrophenoxy)propyl]cyclopentanamine;oxalic acid
CID 2949061
N-[2-(4-nitrophenoxy)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212599

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine?
The IUPAC name of N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine (CID 83014373) is N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine.
What is the SMILES notation for N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine?
The canonical SMILES for N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine is O=[N+]([O-])c1ccc(OCCNN2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine?
The InChIKey is SYGTXFQBNVUACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-16(18)12-4-6-13(7-5-12)19-11-8-14-15-9-2-1-3-10-15/h4-7,14H,1-3,8-11H2.
What are the key properties of N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine?
N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine has a molecular weight of 265.31 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenoxy)ethyl]piperidin-1-amine is sourced from PubChem (CID 83014373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).