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

C15H20N2O2 — CID 55237037

IUPAC(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C15H20N2O2/c1-16-11-4-2-10(3-5-11)15(19)17-12-6-7-13(17)9-14(18)8-12/h2-5,12-14,16,18H,6-9H2,1H3
InChIKeyZXEYAFLOJRTYBS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.86
Rot. Bonds2

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

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone (PubChem CID 55237037) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone
PubChem CID55237037
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C15H20N2O2/c1-16-11-4-2-10(3-5-11)15(19)17-12-6-7-13(17)9-14(18)8-12/h2-5,12-14,16,18H,6-9H2,1H3
InChIKeyZXEYAFLOJRTYBS-UHFFFAOYSA-N
XLogP1.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride
CID 119706378
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 63763280
[3,5-difluoro-4-(methylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63770035
N-(4-acetylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63762447
(4-bromo-3-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 112705964
(3-chloro-4-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 55241627
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 63768096
[3-(dimethylamino)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63762514
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 63767918
[4-(3-aminoprop-1-ynyl)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63768272
(4-fluoro-3-methoxyphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 81002135
[4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 68771626

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone?
The IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone (CID 55237037) is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone.
What is the SMILES notation for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone?
The canonical SMILES for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone is CNc1ccc(C(=O)N2C3CCC2CC(O)C3)cc1.
What is the InChIKey of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone?
The InChIKey is ZXEYAFLOJRTYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-11-4-2-10(3-5-11)15(19)17-12-6-7-13(17)9-14(18)8-12/h2-5,12-14,16,18H,6-9H2,1H3.
What are the key properties of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone?
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone is sourced from PubChem (CID 55237037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).