2-methyl-6-prop-2-enylpiperidine

C9H17N — CID 68571453

IUPAC2-methyl-6-prop-2-enylpiperidine
SMILESC=CCC1CCCC(C)N1
InChIInChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,8-10H,1,4-7H2,2H3
InChIKeyQMCIJHITHILNDH-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds2

About 2-methyl-6-prop-2-enylpiperidine

2-methyl-6-prop-2-enylpiperidine (PubChem CID 68571453) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methyl-6-prop-2-enylpiperidine.

Molecular Properties

Compound Name2-methyl-6-prop-2-enylpiperidine
PubChem CID68571453
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methyl-6-prop-2-enylpiperidine
SMILESC=CCC1CCCC(C)N1
InChIInChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,8-10H,1,4-7H2,2H3
InChIKeyQMCIJHITHILNDH-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
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 2-methyl-6-prop-2-enylpiperidine?
The IUPAC name of 2-methyl-6-prop-2-enylpiperidine (CID 68571453) is 2-methyl-6-prop-2-enylpiperidine.
What is the SMILES notation for 2-methyl-6-prop-2-enylpiperidine?
The canonical SMILES for 2-methyl-6-prop-2-enylpiperidine is C=CCC1CCCC(C)N1.
What is the InChIKey of 2-methyl-6-prop-2-enylpiperidine?
The InChIKey is QMCIJHITHILNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-9-7-4-6-8(2)10-9/h3,8-10H,1,4-7H2,2H3.
What are the key properties of 2-methyl-6-prop-2-enylpiperidine?
2-methyl-6-prop-2-enylpiperidine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-prop-2-enylpiperidine is sourced from PubChem (CID 68571453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).