1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine

C15H23FN4O2 — CID 175587738

IUPAC1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine
SMILESO=[N+]([O-])c1cnn(C2CCN(CC3CCCCC3)CC2F)c1
InChIInChI=1S/C15H23FN4O2/c16-14-11-18(9-12-4-2-1-3-5-12)7-6-15(14)19-10-13(8-17-19)20(21)22/h8,10,12,14-15H,1-7,9,11H2
InChIKeyWHHPIMMMODXNQN-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.96
Rot. Bonds4

About 1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine

1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine (PubChem CID 175587738) has the molecular formula C15H23FN4O2 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine
PubChem CID175587738
Molecular FormulaC15H23FN4O2
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Name1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine
SMILESO=[N+]([O-])c1cnn(C2CCN(CC3CCCCC3)CC2F)c1
InChIInChI=1S/C15H23FN4O2/c16-14-11-18(9-12-4-2-1-3-5-12)7-6-15(14)19-10-13(8-17-19)20(21)22/h8,10,12,14-15H,1-7,9,11H2
InChIKeyWHHPIMMMODXNQN-UHFFFAOYSA-N
XLogP2.96
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.96
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-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine?
The IUPAC name of 1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine (CID 175587738) is 1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine?
The canonical SMILES for 1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine is O=[N+]([O-])c1cnn(C2CCN(CC3CCCCC3)CC2F)c1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine?
The InChIKey is WHHPIMMMODXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O2/c16-14-11-18(9-12-4-2-1-3-5-12)7-6-15(14)19-10-13(8-17-19)20(21)22/h8,10,12,14-15H,1-7,9,11H2.
What are the key properties of 1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine?
1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine has a molecular weight of 310.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine is sourced from PubChem (CID 175587738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).