7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene

C20H36N2 — CID 156905654

IUPAC7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESCC1(C)CCCC(C)(C)N1CCCC1=CC2CNCC(C1)C2
InChIInChI=1S/C20H36N2/c1-19(2)8-6-9-20(3,4)22(19)10-5-7-16-11-17-13-18(12-16)15-21-14-17/h11,17-18,21H,5-10,12-15H2,1-4H3
InChIKeyZANBVPDDPCSEQC-UHFFFAOYSA-N
MW304.52 g/mol
LogP4.37
Rot. Bonds4

About 7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene

7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 156905654) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene
PubChem CID156905654
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESCC1(C)CCCC(C)(C)N1CCCC1=CC2CNCC(C1)C2
InChIInChI=1S/C20H36N2/c1-19(2)8-6-9-20(3,4)22(19)10-5-7-16-11-17-13-18(12-16)15-21-14-17/h11,17-18,21H,5-10,12-15H2,1-4H3
InChIKeyZANBVPDDPCSEQC-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene (CID 156905654) is 7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene is CC1(C)CCCC(C)(C)N1CCCC1=CC2CNCC(C1)C2.
What is the InChIKey of 7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is ZANBVPDDPCSEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-19(2)8-6-9-20(3,4)22(19)10-5-7-16-11-17-13-18(12-16)15-21-14-17/h11,17-18,21H,5-10,12-15H2,1-4H3.
What are the key properties of 7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene?
7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 304.52 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 156905654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).