2-(2-nitrophenyl)-2-piperidin-1-ylethanamine

C13H19N3O2 — CID 82041897

IUPAC2-(2-nitrophenyl)-2-piperidin-1-ylethanamine
SMILESNCC(c1ccccc1[N+](=O)[O-])N1CCCCC1
InChIInChI=1S/C13H19N3O2/c14-10-13(15-8-4-1-5-9-15)11-6-2-3-7-12(11)16(17)18/h2-3,6-7,13H,1,4-5,8-10,14H2
InChIKeyOVENMTRPPPOVCI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.08
Rot. Bonds4

About 2-(2-nitrophenyl)-2-piperidin-1-ylethanamine

2-(2-nitrophenyl)-2-piperidin-1-ylethanamine (PubChem CID 82041897) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-(2-nitrophenyl)-2-piperidin-1-ylethanamine
PubChem CID82041897
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(2-nitrophenyl)-2-piperidin-1-ylethanamine
SMILESNCC(c1ccccc1[N+](=O)[O-])N1CCCCC1
InChIInChI=1S/C13H19N3O2/c14-10-13(15-8-4-1-5-9-15)11-6-2-3-7-12(11)16(17)18/h2-3,6-7,13H,1,4-5,8-10,14H2
InChIKeyOVENMTRPPPOVCI-UHFFFAOYSA-N
XLogP2.08
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-2-piperidin-1-ylethanamine?
The IUPAC name of 2-(2-nitrophenyl)-2-piperidin-1-ylethanamine (CID 82041897) is 2-(2-nitrophenyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-(2-nitrophenyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for 2-(2-nitrophenyl)-2-piperidin-1-ylethanamine is NCC(c1ccccc1[N+](=O)[O-])N1CCCCC1.
What is the InChIKey of 2-(2-nitrophenyl)-2-piperidin-1-ylethanamine?
The InChIKey is OVENMTRPPPOVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-10-13(15-8-4-1-5-9-15)11-6-2-3-7-12(11)16(17)18/h2-3,6-7,13H,1,4-5,8-10,14H2.
What are the key properties of 2-(2-nitrophenyl)-2-piperidin-1-ylethanamine?
2-(2-nitrophenyl)-2-piperidin-1-ylethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 82041897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).