6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine

C12H19N5O2 — CID 79816167

IUPAC6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
SMILESCC(N)C1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C12H19N5O2/c1-8(13)9-4-6-16(7-5-9)11-3-2-10(17(18)19)12(14)15-11/h2-3,8-9H,4-7,13H2,1H3,(H2,14,15)
InChIKeyDQNSMVFNKLPSKX-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.14
Rot. Bonds3

About 6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine

6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine (PubChem CID 79816167) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
PubChem CID79816167
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
SMILESCC(N)C1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C12H19N5O2/c1-8(13)9-4-6-16(7-5-9)11-3-2-10(17(18)19)12(14)15-11/h2-3,8-9H,4-7,13H2,1H3,(H2,14,15)
InChIKeyDQNSMVFNKLPSKX-UHFFFAOYSA-N
XLogP1.14
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine?
The IUPAC name of 6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine (CID 79816167) is 6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine is CC(N)C1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1.
What is the InChIKey of 6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine?
The InChIKey is DQNSMVFNKLPSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(13)9-4-6-16(7-5-9)11-3-2-10(17(18)19)12(14)15-11/h2-3,8-9H,4-7,13H2,1H3,(H2,14,15).
What are the key properties of 6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine?
6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine is sourced from PubChem (CID 79816167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).