4-ethenyl-1,2,2,6,6-pentamethylpiperidine

C12H23N — CID 20501061

IUPAC4-ethenyl-1,2,2,6,6-pentamethylpiperidine
SMILESC=CC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C12H23N/c1-7-10-8-11(2,3)13(6)12(4,5)9-10/h7,10H,1,8-9H2,2-6H3
InChIKeyPRWXRDODTDSTDT-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.07
Rot. Bonds1

About 4-ethenyl-1,2,2,6,6-pentamethylpiperidine

4-ethenyl-1,2,2,6,6-pentamethylpiperidine (PubChem CID 20501061) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-ethenyl-1,2,2,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name4-ethenyl-1,2,2,6,6-pentamethylpiperidine
PubChem CID20501061
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-ethenyl-1,2,2,6,6-pentamethylpiperidine
SMILESC=CC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C12H23N/c1-7-10-8-11(2,3)13(6)12(4,5)9-10/h7,10H,1,8-9H2,2-6H3
InChIKeyPRWXRDODTDSTDT-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,2,6,6-Tetra-methyl-4-vinylpiperidine
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3-Ethenyl-1-propan-2-ylpiperidine
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N,N,2,5-tetraethylhept-6-en-1-amine
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N,N-diethyl-6-methylnon-8-en-1-amine
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N,N,6-triethyloct-7-en-1-amine
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1-Tert-butyl-3-ethenylpiperidine
CID 11084269
2,2,6,6-Tetramethyl-1-pent-4-enylpiperidine
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3-But-3-enyl-1,3-dimethylpiperidine
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1-(10-Undecenyl)-2,2,6,6-tetramethylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,2,2,6,6-pentamethylpiperidine?
The IUPAC name of 4-ethenyl-1,2,2,6,6-pentamethylpiperidine (CID 20501061) is 4-ethenyl-1,2,2,6,6-pentamethylpiperidine.
What is the SMILES notation for 4-ethenyl-1,2,2,6,6-pentamethylpiperidine?
The canonical SMILES for 4-ethenyl-1,2,2,6,6-pentamethylpiperidine is C=CC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 4-ethenyl-1,2,2,6,6-pentamethylpiperidine?
The InChIKey is PRWXRDODTDSTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-7-10-8-11(2,3)13(6)12(4,5)9-10/h7,10H,1,8-9H2,2-6H3.
What are the key properties of 4-ethenyl-1,2,2,6,6-pentamethylpiperidine?
4-ethenyl-1,2,2,6,6-pentamethylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,2,2,6,6-pentamethylpiperidine is sourced from PubChem (CID 20501061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).