1-(2-methylbut-2-enyl)piperidine

C10H19N — CID 57125221

IUPAC1-(2-methylbut-2-enyl)piperidine
SMILESCC=C(C)CN1CCCCC1
InChIInChI=1S/C10H19N/c1-3-10(2)9-11-7-5-4-6-8-11/h3H,4-9H2,1-2H3
InChIKeyGWUACCFGFPRWKW-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.44
Rot. Bonds2

About 1-(2-methylbut-2-enyl)piperidine

1-(2-methylbut-2-enyl)piperidine (PubChem CID 57125221) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-(2-methylbut-2-enyl)piperidine.

Molecular Properties

Compound Name1-(2-methylbut-2-enyl)piperidine
PubChem CID57125221
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-(2-methylbut-2-enyl)piperidine
SMILESCC=C(C)CN1CCCCC1
InChIInChI=1S/C10H19N/c1-3-10(2)9-11-7-5-4-6-8-11/h3H,4-9H2,1-2H3
InChIKeyGWUACCFGFPRWKW-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.44
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-(2-methylbut-2-enyl)piperidine?
The IUPAC name of 1-(2-methylbut-2-enyl)piperidine (CID 57125221) is 1-(2-methylbut-2-enyl)piperidine.
What is the SMILES notation for 1-(2-methylbut-2-enyl)piperidine?
The canonical SMILES for 1-(2-methylbut-2-enyl)piperidine is CC=C(C)CN1CCCCC1.
What is the InChIKey of 1-(2-methylbut-2-enyl)piperidine?
The InChIKey is GWUACCFGFPRWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-10(2)9-11-7-5-4-6-8-11/h3H,4-9H2,1-2H3.
What are the key properties of 1-(2-methylbut-2-enyl)piperidine?
1-(2-methylbut-2-enyl)piperidine has a molecular weight of 153.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbut-2-enyl)piperidine is sourced from PubChem (CID 57125221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).