2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol

C18H27N3O — CID 98579746

IUPAC2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2c[nH]c3ccccc23)C[C@H]1CCO
InChIInChI=1S/C18H27N3O/c1-14(2)21-9-8-20(13-16(21)7-10-22)12-15-11-19-18-6-4-3-5-17(15)18/h3-6,11,14,16,19,22H,7-10,12-13H2,1-2H3/t16-/m1/s1
InChIKeyFCPFDPBKQHALKF-MRXNPFEDSA-N
MW301.43 g/mol
LogP2.44
Rot. Bonds5

About 2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol

2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 98579746) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID98579746
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2c[nH]c3ccccc23)C[C@H]1CCO
InChIInChI=1S/C18H27N3O/c1-14(2)21-9-8-20(13-16(21)7-10-22)12-15-11-19-18-6-4-3-5-17(15)18/h3-6,11,14,16,19,22H,7-10,12-13H2,1-2H3/t16-/m1/s1
InChIKeyFCPFDPBKQHALKF-MRXNPFEDSA-N
XLogP2.44
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol 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

2-[4-(1H-indol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45239360
2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30673763
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1H-indol-3-ylmethyl)piperazin-2-yl]ethanol
CID 29151277
2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30675012
2-[(2R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
CID 98770541
2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 98677649
2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 51636089
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 51901854
1-[4-(1H-indol-3-ylmethyl)morpholin-2-yl]ethanamine
CID 115314840
N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240913
2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98588112

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol (CID 98579746) is 2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol is CC(C)N1CCN(Cc2c[nH]c3ccccc23)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is FCPFDPBKQHALKF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(2)21-9-8-20(13-16(21)7-10-22)12-15-11-19-18-6-4-3-5-17(15)18/h3-6,11,14,16,19,22H,7-10,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 301.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 98579746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).