[4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C20H28N2O3 — CID 68771626

IUPAC[4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNC1CCC(Oc2ccc(C(=O)N3C4CCC3CC(O)C4)cc2)CC1
InChIInChI=1S/C20H28N2O3/c21-14-3-9-19(10-4-14)25-18-7-1-13(2-8-18)20(24)22-15-5-6-16(22)12-17(23)11-15/h1-2,7-8,14-17,19,23H,3-6,9-12,21H2
InChIKeyYANRIOGOYKLUCI-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.46
Rot. Bonds3

About [4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

[4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 68771626) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID68771626
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNC1CCC(Oc2ccc(C(=O)N3C4CCC3CC(O)C4)cc2)CC1
InChIInChI=1S/C20H28N2O3/c21-14-3-9-19(10-4-14)25-18-7-1-13(2-8-18)20(24)22-15-5-6-16(22)12-17(23)11-15/h1-2,7-8,14-17,19,23H,3-6,9-12,21H2
InChIKeyYANRIOGOYKLUCI-UHFFFAOYSA-N
XLogP2.46
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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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-(methylamino)phenyl]methanone
CID 55237037
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 63763280
ethyl 4-(4-aminocyclohexyl)oxybenzoate
CID 16756169
[4-(3-aminoprop-1-ynyl)phenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63768272
(4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186547
(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 121186393
methyl 4-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzoate
CID 121186374
ethyl 4-[[8-[4-[(4-ethylphenyl)sulfanylmethyl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate
CID 46083745
ethyl 4-[[(1R,5S)-8-[4-(phenylsulfanylmethyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzoate
CID 92771153
(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185870
(4-bromophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186056

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 68771626) is [4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is NC1CCC(Oc2ccc(C(=O)N3C4CCC3CC(O)C4)cc2)CC1.
What is the InChIKey of [4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is YANRIOGOYKLUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c21-14-3-9-19(10-4-14)25-18-7-1-13(2-8-18)20(24)22-15-5-6-16(22)12-17(23)11-15/h1-2,7-8,14-17,19,23H,3-6,9-12,21H2.
What are the key properties of [4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
[4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminocyclohexyl)oxyphenyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 68771626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).