(E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine

C9H17FN2 — CID 164659486

IUPAC(E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine
SMILESNC/C=C/CN1CCC(F)CC1
InChIInChI=1S/C9H17FN2/c10-9-3-7-12(8-4-9)6-2-1-5-11/h1-2,9H,3-8,11H2/b2-1+
InChIKeyNZVKLEMGXVYQNS-OWOJBTEDSA-N
MW172.25 g/mol
LogP0.94
Rot. Bonds3

About (E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine

(E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine (PubChem CID 164659486) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is (E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine
PubChem CID164659486
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name(E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine
SMILESNC/C=C/CN1CCC(F)CC1
InChIInChI=1S/C9H17FN2/c10-9-3-7-12(8-4-9)6-2-1-5-11/h1-2,9H,3-8,11H2/b2-1+
InChIKeyNZVKLEMGXVYQNS-OWOJBTEDSA-N
XLogP0.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.94
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 (E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine?
The IUPAC name of (E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine (CID 164659486) is (E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine.
What is the SMILES notation for (E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine?
The canonical SMILES for (E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine is NC/C=C/CN1CCC(F)CC1.
What is the InChIKey of (E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine?
The InChIKey is NZVKLEMGXVYQNS-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H17FN2/c10-9-3-7-12(8-4-9)6-2-1-5-11/h1-2,9H,3-8,11H2/b2-1+.
What are the key properties of (E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine?
(E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine has a molecular weight of 172.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluoropiperidin-1-yl)but-2-en-1-amine is sourced from PubChem (CID 164659486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).