2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol

C22H33N3O2 — CID 2796093

IUPAC2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESOC(CN1CCC(NC2CCCCC2O)CC1)Cn1ccc2ccccc21
InChIInChI=1S/C22H33N3O2/c26-19(16-25-14-9-17-5-1-3-7-21(17)25)15-24-12-10-18(11-13-24)23-20-6-2-4-8-22(20)27/h1,3,5,7,9,14,18-20,22-23,26-27H,2,4,6,8,10-13,15-16H2
InChIKeyYIKVGKGVFYPZHE-UHFFFAOYSA-N
MW371.52 g/mol
LogP2.36
Rot. Bonds6

About 2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol

2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 2796093) has the molecular formula C22H33N3O2 and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID2796093
Molecular FormulaC22H33N3O2
Molecular Weight371.52 g/mol
Exact Mass371.26
IUPAC Name2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESOC(CN1CCC(NC2CCCCC2O)CC1)Cn1ccc2ccccc21
InChIInChI=1S/C22H33N3O2/c26-19(16-25-14-9-17-5-1-3-7-21(17)25)15-24-12-10-18(11-13-24)23-20-6-2-4-8-22(20)27/h1,3,5,7,9,14,18-20,22-23,26-27H,2,4,6,8,10-13,15-16H2
InChIKeyYIKVGKGVFYPZHE-UHFFFAOYSA-N
XLogP2.36
TPSA60.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol (CID 2796093) is 2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol is OC(CN1CCC(NC2CCCCC2O)CC1)Cn1ccc2ccccc21.
What is the InChIKey of 2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is YIKVGKGVFYPZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-19(16-25-14-9-17-5-1-3-7-21(17)25)15-24-12-10-18(11-13-24)23-20-6-2-4-8-22(20)27/h1,3,5,7,9,14,18-20,22-23,26-27H,2,4,6,8,10-13,15-16H2.
What are the key properties of 2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol?
2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 371.52 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxy-3-indol-1-ylpropyl)piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 2796093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).