4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol

C15H18N2O — CID 105365814

IUPAC4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(c2cccc3[nH]ccc23)CCN2CCC1C2
InChIInChI=1S/C15H18N2O/c18-15(6-9-17-8-5-11(15)10-17)13-2-1-3-14-12(13)4-7-16-14/h1-4,7,11,16,18H,5-6,8-10H2
InChIKeyOZAAQVIRKYSQSY-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.08
Rot. Bonds1

About 4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol

4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365814) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365814
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(c2cccc3[nH]ccc23)CCN2CCC1C2
InChIInChI=1S/C15H18N2O/c18-15(6-9-17-8-5-11(15)10-17)13-2-1-3-14-12(13)4-7-16-14/h1-4,7,11,16,18H,5-6,8-10H2
InChIKeyOZAAQVIRKYSQSY-UHFFFAOYSA-N
XLogP2.08
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365765
1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663926
1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449693
3-(1H-indol-4-yl)-1-methylpiperidin-3-ol
CID 12900687
4-(1H-indol-4-yl)-1-methylazepan-4-ol
CID 115351908
8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 115351923
4-(1H-indol-4-yl)-1-propylazepan-4-ol
CID 115351910
[1-(1H-indol-4-yl)cyclobutyl]methanamine
CID 82607708
(4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 129388129
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(1H-indol-4-yl)methanone
CID 59285591
1H-indol-4-ol
CID 102220556
4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105366023

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol (CID 105365814) is 4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol is OC1(c2cccc3[nH]ccc23)CCN2CCC1C2.
What is the InChIKey of 4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is OZAAQVIRKYSQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15(6-9-17-8-5-11(15)10-17)13-2-1-3-14-12(13)4-7-16-14/h1-4,7,11,16,18H,5-6,8-10H2.
What are the key properties of 4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 242.32 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).