1-ethyl-4-fluoropiperidine-4-carbonitrile

C8H13FN2 — CID 89409612

IUPAC1-ethyl-4-fluoropiperidine-4-carbonitrile
SMILESCCN1CCC(F)(C#N)CC1
InChIInChI=1S/C8H13FN2/c1-2-11-5-3-8(9,7-10)4-6-11/h2-6H2,1H3
InChIKeyNWXARVKJDDGSFD-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.33
Rot. Bonds1

About 1-ethyl-4-fluoropiperidine-4-carbonitrile

1-ethyl-4-fluoropiperidine-4-carbonitrile (PubChem CID 89409612) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-ethyl-4-fluoropiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-fluoropiperidine-4-carbonitrile
PubChem CID89409612
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name1-ethyl-4-fluoropiperidine-4-carbonitrile
SMILESCCN1CCC(F)(C#N)CC1
InChIInChI=1S/C8H13FN2/c1-2-11-5-3-8(9,7-10)4-6-11/h2-6H2,1H3
InChIKeyNWXARVKJDDGSFD-UHFFFAOYSA-N
XLogP1.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoropiperidine-4-carbonitrile?
The IUPAC name of 1-ethyl-4-fluoropiperidine-4-carbonitrile (CID 89409612) is 1-ethyl-4-fluoropiperidine-4-carbonitrile.
What is the SMILES notation for 1-ethyl-4-fluoropiperidine-4-carbonitrile?
The canonical SMILES for 1-ethyl-4-fluoropiperidine-4-carbonitrile is CCN1CCC(F)(C#N)CC1.
What is the InChIKey of 1-ethyl-4-fluoropiperidine-4-carbonitrile?
The InChIKey is NWXARVKJDDGSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-2-11-5-3-8(9,7-10)4-6-11/h2-6H2,1H3.
What are the key properties of 1-ethyl-4-fluoropiperidine-4-carbonitrile?
1-ethyl-4-fluoropiperidine-4-carbonitrile has a molecular weight of 156.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoropiperidine-4-carbonitrile is sourced from PubChem (CID 89409612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).