1-[(E)-3-methylpent-2-enyl]piperidine

C11H21N — CID 22628672

IUPAC1-[(E)-3-methylpent-2-enyl]piperidine
SMILESCC/C(C)=C/CN1CCCCC1
InChIInChI=1S/C11H21N/c1-3-11(2)7-10-12-8-5-4-6-9-12/h7H,3-6,8-10H2,1-2H3/b11-7+
InChIKeyOYSGHEBLFONJNI-YRNVUSSQSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds3

About 1-[(E)-3-methylpent-2-enyl]piperidine

1-[(E)-3-methylpent-2-enyl]piperidine (PubChem CID 22628672) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-[(E)-3-methylpent-2-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-3-methylpent-2-enyl]piperidine
PubChem CID22628672
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-[(E)-3-methylpent-2-enyl]piperidine
SMILESCC/C(C)=C/CN1CCCCC1
InChIInChI=1S/C11H21N/c1-3-11(2)7-10-12-8-5-4-6-9-12/h7H,3-6,8-10H2,1-2H3/b11-7+
InChIKeyOYSGHEBLFONJNI-YRNVUSSQSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[(E)-3-methylpent-2-enyl]piperidine?
The IUPAC name of 1-[(E)-3-methylpent-2-enyl]piperidine (CID 22628672) is 1-[(E)-3-methylpent-2-enyl]piperidine.
What is the SMILES notation for 1-[(E)-3-methylpent-2-enyl]piperidine?
The canonical SMILES for 1-[(E)-3-methylpent-2-enyl]piperidine is CC/C(C)=C/CN1CCCCC1.
What is the InChIKey of 1-[(E)-3-methylpent-2-enyl]piperidine?
The InChIKey is OYSGHEBLFONJNI-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H21N/c1-3-11(2)7-10-12-8-5-4-6-9-12/h7H,3-6,8-10H2,1-2H3/b11-7+.
What are the key properties of 1-[(E)-3-methylpent-2-enyl]piperidine?
1-[(E)-3-methylpent-2-enyl]piperidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylpent-2-enyl]piperidine is sourced from PubChem (CID 22628672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).