8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol

C19H23N3O — CID 69430584

IUPAC8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol
SMILESNc1cccc(C2(O)C3CCC2CN(Cc2cccnc2)C3)c1
InChIInChI=1S/C19H23N3O/c20-18-5-1-4-15(9-18)19(23)16-6-7-17(19)13-22(12-16)11-14-3-2-8-21-10-14/h1-5,8-10,16-17,23H,6-7,11-13,20H2
InChIKeyUNZMGXJBRTVFJX-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.39
Rot. Bonds3

About 8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol

8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 69430584) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID69430584
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol
SMILESNc1cccc(C2(O)C3CCC2CN(Cc2cccnc2)C3)c1
InChIInChI=1S/C19H23N3O/c20-18-5-1-4-15(9-18)19(23)16-6-7-17(19)13-22(12-16)11-14-3-2-8-21-10-14/h1-5,8-10,16-17,23H,6-7,11-13,20H2
InChIKeyUNZMGXJBRTVFJX-UHFFFAOYSA-N
XLogP2.39
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,5S)-3-[(3-methoxyphenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063834
3-[(4-fluorophenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216375
(1R,5R)-9-pyridin-3-yl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063916
8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol
CID 69431075
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
2-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131662432
[(3aR,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone
CID 97452906
3-benzyl-6-phenyl-3-azabicyclo[3.1.1]heptan-6-ol
CID 47003608
4-[(1R,5S)-9-methoxy-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;dihydrochloride
CID 139368077
(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134709218
3-[(3-tert-butylazetidin-1-yl)methyl]pyridine
CID 164785326
3-[(5-tert-butyl-2-methoxyphenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216393

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of 8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol (CID 69430584) is 8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol is Nc1cccc(C2(O)C3CCC2CN(Cc2cccnc2)C3)c1.
What is the InChIKey of 8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is UNZMGXJBRTVFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-18-5-1-4-15(9-18)19(23)16-6-7-17(19)13-22(12-16)11-14-3-2-8-21-10-14/h1-5,8-10,16-17,23H,6-7,11-13,20H2.
What are the key properties of 8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol?
8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 309.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 69430584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).