N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine

C12H18N4O2 — CID 86811030

IUPACN,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine
SMILESCN(C)C1CCN(c2cccnc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H18N4O2/c1-14(2)10-5-8-15(9-6-10)11-4-3-7-13-12(11)16(17)18/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyZVYOALWCERHAIM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.52
Rot. Bonds3

About N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine

N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine (PubChem CID 86811030) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine
PubChem CID86811030
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine
SMILESCN(C)C1CCN(c2cccnc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H18N4O2/c1-14(2)10-5-8-15(9-6-10)11-4-3-7-13-12(11)16(17)18/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyZVYOALWCERHAIM-UHFFFAOYSA-N
XLogP1.52
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
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 N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine (CID 86811030) is N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine is CN(C)C1CCN(c2cccnc2[N+](=O)[O-])CC1.
What is the InChIKey of N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine?
The InChIKey is ZVYOALWCERHAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-14(2)10-5-8-15(9-6-10)11-4-3-7-13-12(11)16(17)18/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine?
N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine has a molecular weight of 250.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine is sourced from PubChem (CID 86811030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).