1-[(E)-4,4-dimethylpent-1-enyl]piperidine

C12H23N — CID 89286659

IUPAC1-[(E)-4,4-dimethylpent-1-enyl]piperidine
SMILESCC(C)(C)C/C=C/N1CCCCC1
InChIInChI=1S/C12H23N/c1-12(2,3)8-7-11-13-9-5-4-6-10-13/h7,11H,4-6,8-10H2,1-3H3/b11-7+
InChIKeyGLJLPOIODRLZMY-YRNVUSSQSA-N
MW181.32 g/mol
LogP3.42
Rot. Bonds2

About 1-[(E)-4,4-dimethylpent-1-enyl]piperidine

1-[(E)-4,4-dimethylpent-1-enyl]piperidine (PubChem CID 89286659) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-[(E)-4,4-dimethylpent-1-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-4,4-dimethylpent-1-enyl]piperidine
PubChem CID89286659
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-[(E)-4,4-dimethylpent-1-enyl]piperidine
SMILESCC(C)(C)C/C=C/N1CCCCC1
InChIInChI=1S/C12H23N/c1-12(2,3)8-7-11-13-9-5-4-6-10-13/h7,11H,4-6,8-10H2,1-3H3/b11-7+
InChIKeyGLJLPOIODRLZMY-YRNVUSSQSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4,4-dimethylpent-1-enyl]piperidine?
The IUPAC name of 1-[(E)-4,4-dimethylpent-1-enyl]piperidine (CID 89286659) is 1-[(E)-4,4-dimethylpent-1-enyl]piperidine.
What is the SMILES notation for 1-[(E)-4,4-dimethylpent-1-enyl]piperidine?
The canonical SMILES for 1-[(E)-4,4-dimethylpent-1-enyl]piperidine is CC(C)(C)C/C=C/N1CCCCC1.
What is the InChIKey of 1-[(E)-4,4-dimethylpent-1-enyl]piperidine?
The InChIKey is GLJLPOIODRLZMY-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H23N/c1-12(2,3)8-7-11-13-9-5-4-6-10-13/h7,11H,4-6,8-10H2,1-3H3/b11-7+.
What are the key properties of 1-[(E)-4,4-dimethylpent-1-enyl]piperidine?
1-[(E)-4,4-dimethylpent-1-enyl]piperidine has a molecular weight of 181.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4-dimethylpent-1-enyl]piperidine is sourced from PubChem (CID 89286659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).