3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine

C12H18N4O2 — CID 62045707

IUPAC3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine
SMILESCC(Nc1ccncc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C12H18N4O2/c1-9(10-3-2-5-13-7-10)15-11-4-6-14-8-12(11)16(17)18/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyRGLFGBLDUUOPCG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.79
Rot. Bonds4

About 3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine

3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine (PubChem CID 62045707) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine
PubChem CID62045707
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine
SMILESCC(Nc1ccncc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C12H18N4O2/c1-9(10-3-2-5-13-7-10)15-11-4-6-14-8-12(11)16(17)18/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyRGLFGBLDUUOPCG-UHFFFAOYSA-N
XLogP1.79
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
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 3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine?
The IUPAC name of 3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine (CID 62045707) is 3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine.
What is the SMILES notation for 3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine?
The canonical SMILES for 3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine is CC(Nc1ccncc1[N+](=O)[O-])C1CCCNC1.
What is the InChIKey of 3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine?
The InChIKey is RGLFGBLDUUOPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(10-3-2-5-13-7-10)15-11-4-6-14-8-12(11)16(17)18/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,14,15).
What are the key properties of 3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine?
3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine has a molecular weight of 250.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine is sourced from PubChem (CID 62045707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).