8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane

C13H17FN2 — CID 58946811

IUPAC8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESFc1ccc(CN2C3CCC2CNC3)cc1
InChIInChI=1S/C13H17FN2/c14-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-15-7-12/h1-4,12-13,15H,5-9H2
InChIKeyTWNYQJGSYAYCJS-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.76
Rot. Bonds2

About 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane

8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 58946811) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID58946811
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESFc1ccc(CN2C3CCC2CNC3)cc1
InChIInChI=1S/C13H17FN2/c14-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-15-7-12/h1-4,12-13,15H,5-9H2
InChIKeyTWNYQJGSYAYCJS-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(4-nitrophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 70436080
(1R,6S)-9-benzyl-3,9-diazabicyclo[4.2.1]nonane
CID 51893403
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenyl)ethanone;ethane
CID 145332468
9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 120966791
9-[(2,6-difluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120966790
9-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120843930
(1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 98295740
2-chloro-N-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 68822844
(1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane
CID 98049755
1-(4-fluorophenyl)-3-[(1R,5S)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]thiourea
CID 1461031
9-benzyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 68843951
9-[(4-chloro-2-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120843894

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane (CID 58946811) is 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane is Fc1ccc(CN2C3CCC2CNC3)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is TWNYQJGSYAYCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-15-7-12/h1-4,12-13,15H,5-9H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 220.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 58946811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).