3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine

C16H25N — CID 170617073

IUPAC3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine
SMILESC=C1CCC(C23CCCC(CCC2)C3)C(=C)N1
InChIInChI=1S/C16H25N/c1-12-7-8-15(13(2)17-12)16-9-3-5-14(11-16)6-4-10-16/h14-15,17H,1-11H2
InChIKeyZJEDBDOUTNOVTH-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.37
Rot. Bonds1

About 3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine

3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine (PubChem CID 170617073) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine.

Molecular Properties

Compound Name3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine
PubChem CID170617073
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine
SMILESC=C1CCC(C23CCCC(CCC2)C3)C(=C)N1
InChIInChI=1S/C16H25N/c1-12-7-8-15(13(2)17-12)16-9-3-5-14(11-16)6-4-10-16/h14-15,17H,1-11H2
InChIKeyZJEDBDOUTNOVTH-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine?
The IUPAC name of 3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine (CID 170617073) is 3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine.
What is the SMILES notation for 3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine?
The canonical SMILES for 3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine is C=C1CCC(C23CCCC(CCC2)C3)C(=C)N1.
What is the InChIKey of 3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine?
The InChIKey is ZJEDBDOUTNOVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-7-8-15(13(2)17-12)16-9-3-5-14(11-16)6-4-10-16/h14-15,17H,1-11H2.
What are the key properties of 3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine?
3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine has a molecular weight of 231.38 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bicyclo[3.3.1]nonanyl)-2,6-dimethylidenepiperidine is sourced from PubChem (CID 170617073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).