2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine

C16H23FN2 — CID 43830706

IUPAC2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine
SMILESC=CCC(N)(CN1CCCCC1)c1ccccc1F
InChIInChI=1S/C16H23FN2/c1-2-10-16(18,13-19-11-6-3-7-12-19)14-8-4-5-9-15(14)17/h2,4-5,8-9H,1,3,6-7,10-13,18H2
InChIKeyRBUDGBNNDFKMTK-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.04
Rot. Bonds5

About 2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine

2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine (PubChem CID 43830706) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine
PubChem CID43830706
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine
SMILESC=CCC(N)(CN1CCCCC1)c1ccccc1F
InChIInChI=1S/C16H23FN2/c1-2-10-16(18,13-19-11-6-3-7-12-19)14-8-4-5-9-15(14)17/h2,4-5,8-9H,1,3,6-7,10-13,18H2
InChIKeyRBUDGBNNDFKMTK-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine?
The IUPAC name of 2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine (CID 43830706) is 2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine?
The canonical SMILES for 2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine is C=CCC(N)(CN1CCCCC1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine?
The InChIKey is RBUDGBNNDFKMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-2-10-16(18,13-19-11-6-3-7-12-19)14-8-4-5-9-15(14)17/h2,4-5,8-9H,1,3,6-7,10-13,18H2.
What are the key properties of 2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine?
2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine has a molecular weight of 262.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-piperidin-1-ylpent-4-en-2-amine is sourced from PubChem (CID 43830706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).