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

C11H17FN4O2 — CID 145427918

IUPAC4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine
SMILESCc1cc([N+](=O)[O-])n(CC2(F)CCN(C)CC2)n1
InChIInChI=1S/C11H17FN4O2/c1-9-7-10(16(17)18)15(13-9)8-11(12)3-5-14(2)6-4-11/h7H,3-6,8H2,1-2H3
InChIKeyCHEYDOZPVAWWET-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.53
Rot. Bonds3

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

4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine (PubChem CID 145427918) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine
PubChem CID145427918
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine
SMILESCc1cc([N+](=O)[O-])n(CC2(F)CCN(C)CC2)n1
InChIInChI=1S/C11H17FN4O2/c1-9-7-10(16(17)18)15(13-9)8-11(12)3-5-14(2)6-4-11/h7H,3-6,8H2,1-2H3
InChIKeyCHEYDOZPVAWWET-UHFFFAOYSA-N
XLogP1.53
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.53
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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Related Compounds

1-(2,2-difluoroethyl)-3-methyl-5-nitro-1H-pyrazole
CID 25247562
2-Nitro-5-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 86683996
5-(2,2-Difluoroethyl)-2-nitro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 86684002
2-[[1-(2-Fluoroethyl)piperidin-4-yl]methyl]-5-methylpyrazol-3-amine
CID 145427811
5-Methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-3-amine
CID 145427830
1-(2-Fluoroethyl)-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine
CID 145427923
2-[(4-Fluoro-1-methylpiperidin-4-yl)methyl]-5-methylpyrazol-3-amine
CID 146569374
4-[(3-Methyl-5-nitropyrazol-1-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine
CID 146569970
1-[(3,3-Difluorocyclobutyl)methyl]-5-methyl-3-nitropyrazole
CID 171484697
5-Methyl-3-nitro-1-[3-(trifluoromethyl)cyclobutyl]pyrazole
CID 176068290
1-(4,4-Difluorocyclohexyl)-5-methyl-3-nitropyrazole
CID 176068292
3-methyl-5-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 25247692

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine?
The IUPAC name of 4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine (CID 145427918) is 4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for 4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine?
The canonical SMILES for 4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine is Cc1cc([N+](=O)[O-])n(CC2(F)CCN(C)CC2)n1.
What is the InChIKey of 4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine?
The InChIKey is CHEYDOZPVAWWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2/c1-9-7-10(16(17)18)15(13-9)8-11(12)3-5-14(2)6-4-11/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine?
4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine has a molecular weight of 256.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-4-[(3-methyl-5-nitropyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 145427918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).