2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine

C12H17N — CID 59765791

IUPAC2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine
SMILESC=C1CC(=C)C(=C)N(C(C)C)C1=C
InChIInChI=1S/C12H17N/c1-8(2)13-11(5)9(3)7-10(4)12(13)6/h8H,3-7H2,1-2H3
InChIKeySCBNKAGPGIRJGE-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.24
Rot. Bonds1

About 2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine

2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine (PubChem CID 59765791) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine
PubChem CID59765791
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine
SMILESC=C1CC(=C)C(=C)N(C(C)C)C1=C
InChIInChI=1S/C12H17N/c1-8(2)13-11(5)9(3)7-10(4)12(13)6/h8H,3-7H2,1-2H3
InChIKeySCBNKAGPGIRJGE-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine?
The IUPAC name of 2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine (CID 59765791) is 2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine.
What is the SMILES notation for 2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine?
The canonical SMILES for 2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine is C=C1CC(=C)C(=C)N(C(C)C)C1=C.
What is the InChIKey of 2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine?
The InChIKey is SCBNKAGPGIRJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8(2)13-11(5)9(3)7-10(4)12(13)6/h8H,3-7H2,1-2H3.
What are the key properties of 2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine?
2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine has a molecular weight of 175.27 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylidene-1-propan-2-ylpiperidine is sourced from PubChem (CID 59765791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).