(4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride

C14H19ClN2O2 — CID 119706378

IUPAC(4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C14H18N2O2.ClH/c15-10-3-1-9(2-4-10)14(18)16-11-5-6-12(16)8-13(17)7-11;/h1-4,11-13,17H,5-8,15H2;1H
InChIKeyXZNDJDIVGCFORC-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.82
Rot. Bonds1

About (4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride

(4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride (PubChem CID 119706378) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride
PubChem CID119706378
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C14H18N2O2.ClH/c15-10-3-1-9(2-4-10)14(18)16-11-5-6-12(16)8-13(17)7-11;/h1-4,11-13,17H,5-8,15H2;1H
InChIKeyXZNDJDIVGCFORC-UHFFFAOYSA-N
XLogP1.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(methylamino)phenyl]methanone
CID 55237037
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 63763280
[4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 68771626
[4-(3-aminoprop-1-ynyl)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63768272
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 63768096
3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzenecarbothioamide
CID 63769125
(3-chloro-4-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 55241627
(4-bromo-3-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 112705964
(5-amino-1-benzothiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63763041
(2-amino-6-chloro-4-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63768980
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone
CID 63763664
(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 30115915

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride?
The IUPAC name of (4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride (CID 119706378) is (4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride.
What is the SMILES notation for (4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride?
The canonical SMILES for (4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride is Cl.Nc1ccc(C(=O)N2C3CCC2CC(O)C3)cc1.
What is the InChIKey of (4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride?
The InChIKey is XZNDJDIVGCFORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c15-10-3-1-9(2-4-10)14(18)16-11-5-6-12(16)8-13(17)7-11;/h1-4,11-13,17H,5-8,15H2;1H.
What are the key properties of (4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride?
(4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride is sourced from PubChem (CID 119706378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).