1-fluoropiperidine-4-carbonitrile

C6H9FN2 — CID 123432372

IUPAC1-fluoropiperidine-4-carbonitrile
SMILESN#CC1CCN(F)CC1
InChIInChI=1S/C6H9FN2/c7-9-3-1-6(5-8)2-4-9/h6H,1-4H2
InChIKeyQEBLNJMVBKJBCV-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.11
Rot. Bonds

About 1-fluoropiperidine-4-carbonitrile

1-fluoropiperidine-4-carbonitrile (PubChem CID 123432372) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 1-fluoropiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-fluoropiperidine-4-carbonitrile
PubChem CID123432372
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name1-fluoropiperidine-4-carbonitrile
SMILESN#CC1CCN(F)CC1
InChIInChI=1S/C6H9FN2/c7-9-3-1-6(5-8)2-4-9/h6H,1-4H2
InChIKeyQEBLNJMVBKJBCV-UHFFFAOYSA-N
XLogP1.11
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropiperidine-4-carbonitrile?
The IUPAC name of 1-fluoropiperidine-4-carbonitrile (CID 123432372) is 1-fluoropiperidine-4-carbonitrile.
What is the SMILES notation for 1-fluoropiperidine-4-carbonitrile?
The canonical SMILES for 1-fluoropiperidine-4-carbonitrile is N#CC1CCN(F)CC1.
What is the InChIKey of 1-fluoropiperidine-4-carbonitrile?
The InChIKey is QEBLNJMVBKJBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c7-9-3-1-6(5-8)2-4-9/h6H,1-4H2.
What are the key properties of 1-fluoropiperidine-4-carbonitrile?
1-fluoropiperidine-4-carbonitrile has a molecular weight of 128.15 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropiperidine-4-carbonitrile is sourced from PubChem (CID 123432372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).