2,2,6,6-tetramethyl-1-prop-2-enylpiperidine

C12H23N — CID 19606683

IUPAC2,2,6,6-tetramethyl-1-prop-2-enylpiperidine
SMILESC=CCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C12H23N/c1-6-10-13-11(2,3)8-7-9-12(13,4)5/h6H,1,7-10H2,2-5H3
InChIKeyGOZPGUNDVYSBHF-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds2

About 2,2,6,6-tetramethyl-1-prop-2-enylpiperidine

2,2,6,6-tetramethyl-1-prop-2-enylpiperidine (PubChem CID 19606683) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-prop-2-enylpiperidine
PubChem CID19606683
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,2,6,6-tetramethyl-1-prop-2-enylpiperidine
SMILESC=CCN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C12H23N/c1-6-10-13-11(2,3)8-7-9-12(13,4)5/h6H,1,7-10H2,2-5H3
InChIKeyGOZPGUNDVYSBHF-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.22
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 2,2,6,6-tetramethyl-1-prop-2-enylpiperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1-prop-2-enylpiperidine (CID 19606683) is 2,2,6,6-tetramethyl-1-prop-2-enylpiperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-prop-2-enylpiperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1-prop-2-enylpiperidine is C=CCN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-prop-2-enylpiperidine?
The InChIKey is GOZPGUNDVYSBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-10-13-11(2,3)8-7-9-12(13,4)5/h6H,1,7-10H2,2-5H3.
What are the key properties of 2,2,6,6-tetramethyl-1-prop-2-enylpiperidine?
2,2,6,6-tetramethyl-1-prop-2-enylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-prop-2-enylpiperidine is sourced from PubChem (CID 19606683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).