1-methyl-3-(3-methylbut-3-enyl)piperidine

C11H21N — CID 55269661

IUPAC1-methyl-3-(3-methylbut-3-enyl)piperidine
SMILESC=C(C)CCC1CCCN(C)C1
InChIInChI=1S/C11H21N/c1-10(2)6-7-11-5-4-8-12(3)9-11/h11H,1,4-9H2,2-3H3
InChIKeyXAOZSQWDAQMTNV-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds3

About 1-methyl-3-(3-methylbut-3-enyl)piperidine

1-methyl-3-(3-methylbut-3-enyl)piperidine (PubChem CID 55269661) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbut-3-enyl)piperidine.

Molecular Properties

Compound Name1-methyl-3-(3-methylbut-3-enyl)piperidine
PubChem CID55269661
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-methyl-3-(3-methylbut-3-enyl)piperidine
SMILESC=C(C)CCC1CCCN(C)C1
InChIInChI=1S/C11H21N/c1-10(2)6-7-11-5-4-8-12(3)9-11/h11H,1,4-9H2,2-3H3
InChIKeyXAOZSQWDAQMTNV-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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-methyl-3-(3-methylbut-3-enyl)piperidine?
The IUPAC name of 1-methyl-3-(3-methylbut-3-enyl)piperidine (CID 55269661) is 1-methyl-3-(3-methylbut-3-enyl)piperidine.
What is the SMILES notation for 1-methyl-3-(3-methylbut-3-enyl)piperidine?
The canonical SMILES for 1-methyl-3-(3-methylbut-3-enyl)piperidine is C=C(C)CCC1CCCN(C)C1.
What is the InChIKey of 1-methyl-3-(3-methylbut-3-enyl)piperidine?
The InChIKey is XAOZSQWDAQMTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)6-7-11-5-4-8-12(3)9-11/h11H,1,4-9H2,2-3H3.
What are the key properties of 1-methyl-3-(3-methylbut-3-enyl)piperidine?
1-methyl-3-(3-methylbut-3-enyl)piperidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbut-3-enyl)piperidine is sourced from PubChem (CID 55269661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).