1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol

C20H28N2O2 — CID 59679746

IUPAC1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol
SMILESOC1CCN(C2CCCC[C@@H]2OCCn2ccc3ccccc32)C1
InChIInChI=1S/C20H28N2O2/c23-17-10-12-22(15-17)19-7-3-4-8-20(19)24-14-13-21-11-9-16-5-1-2-6-18(16)21/h1-2,5-6,9,11,17,19-20,23H,3-4,7-8,10,12-15H2/t17?,19?,20-/m0/s1
InChIKeyDGTJLXOZUONLAA-UUKMXZOPSA-N
MW328.46 g/mol
LogP3.04
Rot. Bonds5

About 1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol

1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol (PubChem CID 59679746) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol
PubChem CID59679746
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol
SMILESOC1CCN(C2CCCC[C@@H]2OCCn2ccc3ccccc32)C1
InChIInChI=1S/C20H28N2O2/c23-17-10-12-22(15-17)19-7-3-4-8-20(19)24-14-13-21-11-9-16-5-1-2-6-18(16)21/h1-2,5-6,9,11,17,19-20,23H,3-4,7-8,10,12-15H2/t17?,19?,20-/m0/s1
InChIKeyDGTJLXOZUONLAA-UUKMXZOPSA-N
XLogP3.04
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157461920
CID 157461920
(3R)-1-[(1R)-2-[3-(4-methoxyphenyl)propoxy]cycloheptyl]pyrrolidin-3-ol
CID 143380226
(3R)-1-[(1R,2S)-2-[2-[3,4-di((113C)methoxy)phenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11639643
(3R)-1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11268116
1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 59679744
(3R)-1-[(1S,2S)-2-[2-(3-methoxy-4-methylphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 58637355
(3S)-1-[(1R,2R)-2-[2-[3,4-bis(trideuterio(113C)methoxy)phenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 76974269
(3R)-1-[(1S,2S)-2-[2-(4-methoxy-3-methylphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;sulfane;hydrochloride
CID 169425207
N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82823981
1-[(2S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-3-indol-1-ylpropan-1-one
CID 171152685
1-[(1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-3-indol-1-ylpropan-1-one
CID 124939065
(3R)-1-[2-[2-[4-(2-aminoethoxy)-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 59432629

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol (CID 59679746) is 1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol is OC1CCN(C2CCCC[C@@H]2OCCn2ccc3ccccc32)C1.
What is the InChIKey of 1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol?
The InChIKey is DGTJLXOZUONLAA-UUKMXZOPSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-17-10-12-22(15-17)19-7-3-4-8-20(19)24-14-13-21-11-9-16-5-1-2-6-18(16)21/h1-2,5-6,9,11,17,19-20,23H,3-4,7-8,10,12-15H2/t17?,19?,20-/m0/s1.
What are the key properties of 1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol?
1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol has a molecular weight of 328.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-indol-1-ylethoxy)cyclohexyl]pyrrolidin-3-ol is sourced from PubChem (CID 59679746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).