8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone

C16H22N2O — CID 171946208

IUPAC8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C16H22N2O/c1-18(2)15-7-3-11(4-8-15)16(19)12-9-13-5-6-14(10-12)17-13/h3-4,7-8,12-14,17H,5-6,9-10H2,1-2H3
InChIKeyBUTARMBWFVQUEY-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.47
Rot. Bonds3

About 8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone

8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone (PubChem CID 171946208) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone
PubChem CID171946208
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C16H22N2O/c1-18(2)15-7-3-11(4-8-15)16(19)12-9-13-5-6-14(10-12)17-13/h3-4,7-8,12-14,17H,5-6,9-10H2,1-2H3
InChIKeyBUTARMBWFVQUEY-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone
CID 171941310
9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone
CID 171944685
8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
CID 171944750
9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone
CID 171946068
[4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 23512746
8-azabicyclo[3.2.1]octan-3-yl-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methanone
CID 171939597
4-(8-azabicyclo[3.2.1]octane-3-carbonyl)-2-methoxybenzonitrile
CID 171939722
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide
CID 119459719
8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone
CID 171942745
9-azabicyclo[3.3.1]nonan-3-yl-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methanone
CID 171939607
4-(1-cyclopropylethenyl)-N,N-dimethylaniline
CID 168864381
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone (CID 171946208) is 8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)C2CC3CCC(C2)N3)cc1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone?
The InChIKey is BUTARMBWFVQUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18(2)15-7-3-11(4-8-15)16(19)12-9-13-5-6-14(10-12)17-13/h3-4,7-8,12-14,17H,5-6,9-10H2,1-2H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone?
8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone has a molecular weight of 258.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 171946208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).