1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine

C12H19FN4O2 — CID 145427923

IUPAC1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine
SMILESCc1cc([N+](=O)[O-])n(CC2CCN(CCF)CC2)n1
InChIInChI=1S/C12H19FN4O2/c1-10-8-12(17(18)19)16(14-10)9-11-2-5-15(6-3-11)7-4-13/h8,11H,2-7,9H2,1H3
InChIKeyPBADPIHJEBJSJE-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.78
Rot. Bonds5

About 1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine

1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine (PubChem CID 145427923) has the molecular formula C12H19FN4O2 and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine
PubChem CID145427923
Molecular FormulaC12H19FN4O2
Molecular Weight270.31 g/mol
Exact Mass270.15
IUPAC Name1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine
SMILESCc1cc([N+](=O)[O-])n(CC2CCN(CCF)CC2)n1
InChIInChI=1S/C12H19FN4O2/c1-10-8-12(17(18)19)16(14-10)9-11-2-5-15(6-3-11)7-4-13/h8,11H,2-7,9H2,1H3
InChIKeyPBADPIHJEBJSJE-UHFFFAOYSA-N
XLogP1.78
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.78
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 1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine?
The IUPAC name of 1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine (CID 145427923) is 1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine is Cc1cc([N+](=O)[O-])n(CC2CCN(CCF)CC2)n1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine?
The InChIKey is PBADPIHJEBJSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O2/c1-10-8-12(17(18)19)16(14-10)9-11-2-5-15(6-3-11)7-4-13/h8,11H,2-7,9H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine?
1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine has a molecular weight of 270.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 145427923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).