3-methyl-1-prop-2-enylpiperidine

C9H17N — CID 11240525

IUPAC3-methyl-1-prop-2-enylpiperidine
SMILESC=CCN1CCCC(C)C1
InChIInChI=1S/C9H17N/c1-3-6-10-7-4-5-9(2)8-10/h3,9H,1,4-8H2,2H3
InChIKeyOOUWNPQGIBBWPI-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.90
Rot. Bonds2

About 3-methyl-1-prop-2-enylpiperidine

3-methyl-1-prop-2-enylpiperidine (PubChem CID 11240525) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name3-methyl-1-prop-2-enylpiperidine
PubChem CID11240525
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-methyl-1-prop-2-enylpiperidine
SMILESC=CCN1CCCC(C)C1
InChIInChI=1S/C9H17N/c1-3-6-10-7-4-5-9(2)8-10/h3,9H,1,4-8H2,2H3
InChIKeyOOUWNPQGIBBWPI-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.90
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 3-methyl-1-prop-2-enylpiperidine?
The IUPAC name of 3-methyl-1-prop-2-enylpiperidine (CID 11240525) is 3-methyl-1-prop-2-enylpiperidine.
What is the SMILES notation for 3-methyl-1-prop-2-enylpiperidine?
The canonical SMILES for 3-methyl-1-prop-2-enylpiperidine is C=CCN1CCCC(C)C1.
What is the InChIKey of 3-methyl-1-prop-2-enylpiperidine?
The InChIKey is OOUWNPQGIBBWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-6-10-7-4-5-9(2)8-10/h3,9H,1,4-8H2,2H3.
What are the key properties of 3-methyl-1-prop-2-enylpiperidine?
3-methyl-1-prop-2-enylpiperidine has a molecular weight of 139.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-2-enylpiperidine is sourced from PubChem (CID 11240525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).