4-buta-2,3-dien-2-ylpiperidine

C9H15N — CID 89380984

IUPAC4-buta-2,3-dien-2-ylpiperidine
SMILESC=C=C(C)C1CCNCC1
InChIInChI=1S/C9H15N/c1-3-8(2)9-4-6-10-7-5-9/h9-10H,1,4-7H2,2H3
InChIKeyRNSGVWVNAIDJEU-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.72
Rot. Bonds1

About 4-buta-2,3-dien-2-ylpiperidine

4-buta-2,3-dien-2-ylpiperidine (PubChem CID 89380984) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-buta-2,3-dien-2-ylpiperidine.

Molecular Properties

Compound Name4-buta-2,3-dien-2-ylpiperidine
PubChem CID89380984
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-buta-2,3-dien-2-ylpiperidine
SMILESC=C=C(C)C1CCNCC1
InChIInChI=1S/C9H15N/c1-3-8(2)9-4-6-10-7-5-9/h9-10H,1,4-7H2,2H3
InChIKeyRNSGVWVNAIDJEU-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-buta-2,3-dien-2-ylpiperidine?
The IUPAC name of 4-buta-2,3-dien-2-ylpiperidine (CID 89380984) is 4-buta-2,3-dien-2-ylpiperidine.
What is the SMILES notation for 4-buta-2,3-dien-2-ylpiperidine?
The canonical SMILES for 4-buta-2,3-dien-2-ylpiperidine is C=C=C(C)C1CCNCC1.
What is the InChIKey of 4-buta-2,3-dien-2-ylpiperidine?
The InChIKey is RNSGVWVNAIDJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8(2)9-4-6-10-7-5-9/h9-10H,1,4-7H2,2H3.
What are the key properties of 4-buta-2,3-dien-2-ylpiperidine?
4-buta-2,3-dien-2-ylpiperidine has a molecular weight of 137.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-2,3-dien-2-ylpiperidine is sourced from PubChem (CID 89380984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).