1-buta-1,3-dienylpiperidine

C9H15N — CID 54348105

IUPAC1-buta-1,3-dienylpiperidine
SMILESC=CC=CN1CCCCC1
InChIInChI=1S/C9H15N/c1-2-3-7-10-8-5-4-6-9-10/h2-3,7H,1,4-6,8-9H2
InChIKeyKMDCMQSPOLDTBR-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.17
Rot. Bonds2

About 1-buta-1,3-dienylpiperidine

1-buta-1,3-dienylpiperidine (PubChem CID 54348105) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-buta-1,3-dienylpiperidine.

Molecular Properties

Compound Name1-buta-1,3-dienylpiperidine
PubChem CID54348105
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-buta-1,3-dienylpiperidine
SMILESC=CC=CN1CCCCC1
InChIInChI=1S/C9H15N/c1-2-3-7-10-8-5-4-6-9-10/h2-3,7H,1,4-6,8-9H2
InChIKeyKMDCMQSPOLDTBR-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dienylpiperidine?
The IUPAC name of 1-buta-1,3-dienylpiperidine (CID 54348105) is 1-buta-1,3-dienylpiperidine.
What is the SMILES notation for 1-buta-1,3-dienylpiperidine?
The canonical SMILES for 1-buta-1,3-dienylpiperidine is C=CC=CN1CCCCC1.
What is the InChIKey of 1-buta-1,3-dienylpiperidine?
The InChIKey is KMDCMQSPOLDTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-7-10-8-5-4-6-9-10/h2-3,7H,1,4-6,8-9H2.
What are the key properties of 1-buta-1,3-dienylpiperidine?
1-buta-1,3-dienylpiperidine has a molecular weight of 137.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dienylpiperidine is sourced from PubChem (CID 54348105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).