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

C9H18N2 — CID 117268268

IUPAC3-piperidin-4-ylbut-3-en-1-amine
SMILESC=C(CCN)C1CCNCC1
InChIInChI=1S/C9H18N2/c1-8(2-5-10)9-3-6-11-7-4-9/h9,11H,1-7,10H2
InChIKeyQBJZZVPEJVUVKX-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.89
Rot. Bonds3

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

3-piperidin-4-ylbut-3-en-1-amine (PubChem CID 117268268) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-piperidin-4-ylbut-3-en-1-amine.

Molecular Properties

Compound Name3-piperidin-4-ylbut-3-en-1-amine
PubChem CID117268268
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-piperidin-4-ylbut-3-en-1-amine
SMILESC=C(CCN)C1CCNCC1
InChIInChI=1S/C9H18N2/c1-8(2-5-10)9-3-6-11-7-4-9/h9,11H,1-7,10H2
InChIKeyQBJZZVPEJVUVKX-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 3-piperidin-4-ylbut-3-en-1-amine?
The IUPAC name of 3-piperidin-4-ylbut-3-en-1-amine (CID 117268268) is 3-piperidin-4-ylbut-3-en-1-amine.
What is the SMILES notation for 3-piperidin-4-ylbut-3-en-1-amine?
The canonical SMILES for 3-piperidin-4-ylbut-3-en-1-amine is C=C(CCN)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-ylbut-3-en-1-amine?
The InChIKey is QBJZZVPEJVUVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2-5-10)9-3-6-11-7-4-9/h9,11H,1-7,10H2.
What are the key properties of 3-piperidin-4-ylbut-3-en-1-amine?
3-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 3-piperidin-4-ylbut-3-en-1-amine is sourced from PubChem (CID 117268268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).