1-[(E)-hept-2-enyl]piperidine

C12H23N — CID 87507901

IUPAC1-[(E)-hept-2-enyl]piperidine
SMILESCCCC/C=C/CN1CCCCC1
InChIInChI=1S/C12H23N/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h5,7H,2-4,6,8-12H2,1H3/b7-5+
InChIKeyQDRSYFZQCGEFFP-FNORWQNLSA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds5

About 1-[(E)-hept-2-enyl]piperidine

1-[(E)-hept-2-enyl]piperidine (PubChem CID 87507901) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-[(E)-hept-2-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-hept-2-enyl]piperidine
PubChem CID87507901
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-[(E)-hept-2-enyl]piperidine
SMILESCCCC/C=C/CN1CCCCC1
InChIInChI=1S/C12H23N/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h5,7H,2-4,6,8-12H2,1H3/b7-5+
InChIKeyQDRSYFZQCGEFFP-FNORWQNLSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hept-2-enyl]piperidine?
The IUPAC name of 1-[(E)-hept-2-enyl]piperidine (CID 87507901) is 1-[(E)-hept-2-enyl]piperidine.
What is the SMILES notation for 1-[(E)-hept-2-enyl]piperidine?
The canonical SMILES for 1-[(E)-hept-2-enyl]piperidine is CCCC/C=C/CN1CCCCC1.
What is the InChIKey of 1-[(E)-hept-2-enyl]piperidine?
The InChIKey is QDRSYFZQCGEFFP-FNORWQNLSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h5,7H,2-4,6,8-12H2,1H3/b7-5+.
What are the key properties of 1-[(E)-hept-2-enyl]piperidine?
1-[(E)-hept-2-enyl]piperidine has a molecular weight of 181.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hept-2-enyl]piperidine is sourced from PubChem (CID 87507901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).