2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol

C15H25Cl2N3O2 — CID 140594763

IUPAC2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
SMILESCCOC1CC(C2(O)C(N)=NC3CCC(Cl)CC32)C(Cl)CN1
InChIInChI=1S/C15H25Cl2N3O2/c1-2-22-13-6-9(11(17)7-19-13)15(21)10-5-8(16)3-4-12(10)20-14(15)18/h8-13,19,21H,2-7H2,1H3,(H2,18,20)
InChIKeyUEAMQOJLZAWEPT-UHFFFAOYSA-N
MW350.29 g/mol
LogP1.44
Rot. Bonds3

About 2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol

2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol (PubChem CID 140594763) has the molecular formula C15H25Cl2N3O2 and a molecular weight of 350.29 g/mol. Its IUPAC name is 2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol.

Molecular Properties

Compound Name2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
PubChem CID140594763
Molecular FormulaC15H25Cl2N3O2
Molecular Weight350.29 g/mol
Exact Mass349.13
IUPAC Name2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
SMILESCCOC1CC(C2(O)C(N)=NC3CCC(Cl)CC32)C(Cl)CN1
InChIInChI=1S/C15H25Cl2N3O2/c1-2-22-13-6-9(11(17)7-19-13)15(21)10-5-8(16)3-4-12(10)20-14(15)18/h8-13,19,21H,2-7H2,1H3,(H2,18,20)
InChIKeyUEAMQOJLZAWEPT-UHFFFAOYSA-N
XLogP1.44
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-3-(2-cyclopropyl-5-methoxycyclohexyl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594834
2-amino-5-chloro-3-(2-ethylsulfanylcyclohexyl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594839
2-amino-5-chloro-3-(2,4-dimethoxycyclohexyl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594930
2-amino-5-chloro-3-[5-chloro-2-(dimethylamino)cyclohexyl]-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594940
2-amino-5-chloro-3-(5-chloro-2-propan-2-ylsulfanylcyclohexyl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594913
2-amino-5-chloro-3-(1,3-thiazolidin-2-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594840
2-amino-5-chloro-3-cyclohexyl-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594929
2-amino-5-chloro-3-(2-fluorocyclohexyl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594799
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-amino-5-chloro-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594784
3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl)-2-amino-5-chloro-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594802
2-amino-5-chloro-3-(3-fluoro-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594910
3-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-2-amino-5-chloro-3a,4,5,6,7,7a-hexahydroindol-3-ol
CID 140594823

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol?
The IUPAC name of 2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol (CID 140594763) is 2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol.
What is the SMILES notation for 2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol?
The canonical SMILES for 2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol is CCOC1CC(C2(O)C(N)=NC3CCC(Cl)CC32)C(Cl)CN1.
What is the InChIKey of 2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol?
The InChIKey is UEAMQOJLZAWEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Cl2N3O2/c1-2-22-13-6-9(11(17)7-19-13)15(21)10-5-8(16)3-4-12(10)20-14(15)18/h8-13,19,21H,2-7H2,1H3,(H2,18,20).
What are the key properties of 2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol?
2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol has a molecular weight of 350.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-(5-chloro-2-ethoxypiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroindol-3-ol is sourced from PubChem (CID 140594763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).