2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine

C14H22N2 — CID 174923461

IUPAC2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine
SMILESCC1CCNCC1.c1cc2cc(c1)NCC2
InChIInChI=1S/C8H9N.C6H13N/c1-2-7-4-5-9-8(3-1)6-7;1-6-2-4-7-5-3-6/h1-3,6,9H,4-5H2;6-7H,2-5H2,1H3
InChIKeyZSEDXJCUODSOCA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.66
Rot. Bonds

About 2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine

2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine (PubChem CID 174923461) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine.

Molecular Properties

Compound Name2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine
PubChem CID174923461
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine
SMILESCC1CCNCC1.c1cc2cc(c1)NCC2
InChIInChI=1S/C8H9N.C6H13N/c1-2-7-4-5-9-8(3-1)6-7;1-6-2-4-7-5-3-6/h1-3,6,9H,4-5H2;6-7H,2-5H2,1H3
InChIKeyZSEDXJCUODSOCA-UHFFFAOYSA-N
XLogP2.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine?
The IUPAC name of 2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine (CID 174923461) is 2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine.
What is the SMILES notation for 2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine?
The canonical SMILES for 2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine is CC1CCNCC1.c1cc2cc(c1)NCC2.
What is the InChIKey of 2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine?
The InChIKey is ZSEDXJCUODSOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C6H13N/c1-2-7-4-5-9-8(3-1)6-7;1-6-2-4-7-5-3-6/h1-3,6,9H,4-5H2;6-7H,2-5H2,1H3.
What are the key properties of 2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine?
2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine has a molecular weight of 218.34 g/mol, XLogP of 2.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.3.1]nona-1(8),5(9),6-triene;4-methylpiperidine is sourced from PubChem (CID 174923461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).