8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene

C26H26N2O — CID 171967780

IUPAC8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2cncc(OCc3ccccc3)c2)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C26H26N2O/c1-3-7-20(8-4-1)18-28-24-11-12-25(28)14-22(13-24)23-15-26(17-27-16-23)29-19-21-9-5-2-6-10-21/h1-10,13,15-17,24-25H,11-12,14,18-19H2
InChIKeyGIJRVJMBLAFJLM-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.48
Rot. Bonds6

About 8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene

8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171967780) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171967780
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2cncc(OCc3ccccc3)c2)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C26H26N2O/c1-3-7-20(8-4-1)18-28-24-11-12-25(28)14-22(13-24)23-15-26(17-27-16-23)29-19-21-9-5-2-6-10-21/h1-10,13,15-17,24-25H,11-12,14,18-19H2
InChIKeyGIJRVJMBLAFJLM-UHFFFAOYSA-N
XLogP5.48
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171967717
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
8-benzyl-3-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973277
8-benzyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171970136
8-benzyl-3-(3-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene;iodoform
CID 123525033
5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine
CID 171971436
[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
CID 171972827
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973239
8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971011
6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
CID 171970824
7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171972999
2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine
CID 171969390

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene (CID 171967780) is 8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene is C1=C(c2cncc(OCc3ccccc3)c2)CC2CCC1N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is GIJRVJMBLAFJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-3-7-20(8-4-1)18-28-24-11-12-25(28)14-22(13-24)23-15-26(17-27-16-23)29-19-21-9-5-2-6-10-21/h1-10,13,15-17,24-25H,11-12,14,18-19H2.
What are the key properties of 8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene?
8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 382.51 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171967780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).