1-piperidin-4-ylbut-3-en-1-amine

C9H18N2 — CID 44631002

IUPAC1-piperidin-4-ylbut-3-en-1-amine
SMILESC=CCC(N)C1CCNCC1
InChIInChI=1S/C9H18N2/c1-2-3-9(10)8-4-6-11-7-5-8/h2,8-9,11H,1,3-7,10H2
InChIKeyIVGMZPJROWTBJC-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.89
Rot. Bonds3

About 1-piperidin-4-ylbut-3-en-1-amine

1-piperidin-4-ylbut-3-en-1-amine (PubChem CID 44631002) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-piperidin-4-ylbut-3-en-1-amine.

Molecular Properties

Compound Name1-piperidin-4-ylbut-3-en-1-amine
PubChem CID44631002
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-piperidin-4-ylbut-3-en-1-amine
SMILESC=CCC(N)C1CCNCC1
InChIInChI=1S/C9H18N2/c1-2-3-9(10)8-4-6-11-7-5-8/h2,8-9,11H,1,3-7,10H2
InChIKeyIVGMZPJROWTBJC-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
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 1-piperidin-4-ylbut-3-en-1-amine?
The IUPAC name of 1-piperidin-4-ylbut-3-en-1-amine (CID 44631002) is 1-piperidin-4-ylbut-3-en-1-amine.
What is the SMILES notation for 1-piperidin-4-ylbut-3-en-1-amine?
The canonical SMILES for 1-piperidin-4-ylbut-3-en-1-amine is C=CCC(N)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylbut-3-en-1-amine?
The InChIKey is IVGMZPJROWTBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-9(10)8-4-6-11-7-5-8/h2,8-9,11H,1,3-7,10H2.
What are the key properties of 1-piperidin-4-ylbut-3-en-1-amine?
1-piperidin-4-ylbut-3-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylbut-3-en-1-amine is sourced from PubChem (CID 44631002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).