3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

C23H25ClN2O — CID 44591042

IUPAC3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25ClN2O/c24-18-7-5-17(6-8-18)23(27)13-19-9-10-20(14-23)26(19)12-11-16-15-25-22-4-2-1-3-21(16)22/h1-8,15,19-20,25,27H,9-14H2
InChIKeyNXGXYFWRVCUKFN-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.88
Rot. Bonds4

About 3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol

3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 44591042) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID44591042
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25ClN2O/c24-18-7-5-17(6-8-18)23(27)13-19-9-10-20(14-23)26(19)12-11-16-15-25-22-4-2-1-3-21(16)22/h1-8,15,19-20,25,27H,9-14H2
InChIKeyNXGXYFWRVCUKFN-UHFFFAOYSA-N
XLogP4.88
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol
CID 44591043
(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 51893359
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 113214463
4-[3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-fluorophenyl)butan-1-one
CID 13091268
4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 22754835
(1R,5S)-8-(benzo[e][1]benzofuran-1-ylmethyl)-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol;oxalic acid
CID 25130507
cis-methyl (1R,2S)-2-[[(1S,5R)-3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-1-phenylcyclopropane-1-carboxylate
CID 53248109
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole
CID 21428727
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 44591042) is 3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NXGXYFWRVCUKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c24-18-7-5-17(6-8-18)23(27)13-19-9-10-20(14-23)26(19)12-11-16-15-25-22-4-2-1-3-21(16)22/h1-8,15,19-20,25,27H,9-14H2.
What are the key properties of 3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 380.92 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 44591042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).