8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride

C15H18ClFN2 — CID 164606740

IUPAC8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride
SMILESCl.N#CC1(Cc2ccc(F)cc2)C2CCC1CNC2
InChIInChI=1S/C15H17FN2.ClH/c16-14-5-1-11(2-6-14)7-15(10-17)12-3-4-13(15)9-18-8-12;/h1-2,5-6,12-13,18H,3-4,7-9H2;1H
InChIKeyNFXFHOFLAMYEQA-UHFFFAOYSA-N
MW280.77 g/mol
LogP2.93
Rot. Bonds2

About 8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride

8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride (PubChem CID 164606740) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride
PubChem CID164606740
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride
SMILESCl.N#CC1(Cc2ccc(F)cc2)C2CCC1CNC2
InChIInChI=1S/C15H17FN2.ClH/c16-14-5-1-11(2-6-14)7-15(10-17)12-3-4-13(15)9-18-8-12;/h1-2,5-6,12-13,18H,3-4,7-9H2;1H
InChIKeyNFXFHOFLAMYEQA-UHFFFAOYSA-N
XLogP2.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane
CID 84778581
2-[(4-fluorophenyl)methyl]thiolane-2-carbonitrile
CID 83174463
2-[(4-methoxyphenyl)methyl]adamantane-2-carbonitrile
CID 86199575
3-fluoro-3-[(4-fluorophenyl)methyl]azetidine
CID 112563497
3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride
CID 75485348
3-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-1-carbonitrile
CID 139820883
8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 58946811
6-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331044
1-[(4-fluorophenyl)methyl]cyclobutan-1-amine;hydrochloride
CID 86277096
3-(4-fluorophenyl)azetidine
CID 55250938
3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 54595081
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride (CID 164606740) is 8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride is Cl.N#CC1(Cc2ccc(F)cc2)C2CCC1CNC2.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride?
The InChIKey is NFXFHOFLAMYEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2.ClH/c16-14-5-1-11(2-6-14)7-15(10-17)12-3-4-13(15)9-18-8-12;/h1-2,5-6,12-13,18H,3-4,7-9H2;1H.
What are the key properties of 8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride?
8-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride has a molecular weight of 280.77 g/mol, XLogP of 2.93, 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-azabicyclo[3.2.1]octane-8-carbonitrile;hydrochloride is sourced from PubChem (CID 164606740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).