1-[(1E)-buta-1,3-dienyl]piperidine

C9H15N — CID 12517246

IUPAC1-[(1E)-buta-1,3-dienyl]piperidine
SMILESC=C/C=C/N1CCCCC1
InChIInChI=1S/C9H15N/c1-2-3-7-10-8-5-4-6-9-10/h2-3,7H,1,4-6,8-9H2/b7-3+
InChIKeyKMDCMQSPOLDTBR-XVNBXDOJSA-N
MW137.23 g/mol
LogP2.17
Rot. Bonds2

About 1-[(1E)-buta-1,3-dienyl]piperidine

1-[(1E)-buta-1,3-dienyl]piperidine (PubChem CID 12517246) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-[(1E)-buta-1,3-dienyl]piperidine.

Molecular Properties

Compound Name1-[(1E)-buta-1,3-dienyl]piperidine
PubChem CID12517246
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-[(1E)-buta-1,3-dienyl]piperidine
SMILESC=C/C=C/N1CCCCC1
InChIInChI=1S/C9H15N/c1-2-3-7-10-8-5-4-6-9-10/h2-3,7H,1,4-6,8-9H2/b7-3+
InChIKeyKMDCMQSPOLDTBR-XVNBXDOJSA-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-[(1E)-buta-1,3-dienyl]piperidine?
The IUPAC name of 1-[(1E)-buta-1,3-dienyl]piperidine (CID 12517246) is 1-[(1E)-buta-1,3-dienyl]piperidine.
What is the SMILES notation for 1-[(1E)-buta-1,3-dienyl]piperidine?
The canonical SMILES for 1-[(1E)-buta-1,3-dienyl]piperidine is C=C/C=C/N1CCCCC1.
What is the InChIKey of 1-[(1E)-buta-1,3-dienyl]piperidine?
The InChIKey is KMDCMQSPOLDTBR-XVNBXDOJSA-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/b7-3+.
What are the key properties of 1-[(1E)-buta-1,3-dienyl]piperidine?
1-[(1E)-buta-1,3-dienyl]piperidine 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-[(1E)-buta-1,3-dienyl]piperidine is sourced from PubChem (CID 12517246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).