1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine

C16H18N4O2 — CID 133363140

IUPAC1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine
SMILESO=[N+]([O-])c1cccnc1N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C16H18N4O2/c21-20(22)15-9-4-10-17-16(15)19-11-5-8-14(12-19)18-13-6-2-1-3-7-13/h1-4,6-7,9-10,14,18H,5,8,11-12H2
InChIKeyJMIGGCMQGLGPIS-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.07
Rot. Bonds4

About 1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine

1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine (PubChem CID 133363140) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine
PubChem CID133363140
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine
SMILESO=[N+]([O-])c1cccnc1N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C16H18N4O2/c21-20(22)15-9-4-10-17-16(15)19-11-5-8-14(12-19)18-13-6-2-1-3-7-13/h1-4,6-7,9-10,14,18H,5,8,11-12H2
InChIKeyJMIGGCMQGLGPIS-UHFFFAOYSA-N
XLogP3.07
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine?
The IUPAC name of 1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine (CID 133363140) is 1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine.
What is the SMILES notation for 1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine?
The canonical SMILES for 1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine is O=[N+]([O-])c1cccnc1N1CCCC(Nc2ccccc2)C1.
What is the InChIKey of 1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine?
The InChIKey is JMIGGCMQGLGPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-20(22)15-9-4-10-17-16(15)19-11-5-8-14(12-19)18-13-6-2-1-3-7-13/h1-4,6-7,9-10,14,18H,5,8,11-12H2.
What are the key properties of 1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine?
1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine has a molecular weight of 298.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine is sourced from PubChem (CID 133363140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).