2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine

C12H21N — CID 53441635

IUPAC2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine
SMILESC=CCC1CCCC(C=C(C)C)N1
InChIInChI=1S/C12H21N/c1-4-6-11-7-5-8-12(13-11)9-10(2)3/h4,9,11-13H,1,5-8H2,2-3H3
InChIKeyKYHKYVVLMVUBDF-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.04
Rot. Bonds3

About 2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine

2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine (PubChem CID 53441635) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine
PubChem CID53441635
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine
SMILESC=CCC1CCCC(C=C(C)C)N1
InChIInChI=1S/C12H21N/c1-4-6-11-7-5-8-12(13-11)9-10(2)3/h4,9,11-13H,1,5-8H2,2-3H3
InChIKeyKYHKYVVLMVUBDF-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.04
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-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine?
The IUPAC name of 2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine (CID 53441635) is 2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine?
The canonical SMILES for 2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine is C=CCC1CCCC(C=C(C)C)N1.
What is the InChIKey of 2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine?
The InChIKey is KYHKYVVLMVUBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-6-11-7-5-8-12(13-11)9-10(2)3/h4,9,11-13H,1,5-8H2,2-3H3.
What are the key properties of 2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine?
2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine has a molecular weight of 179.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-6-prop-2-enylpiperidine is sourced from PubChem (CID 53441635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).