(1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol

C22H27N3O — CID 59771315

IUPAC(1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol
SMILESCN1CCN(C[C@H](O)[C@@H](c2ccccc2)n2ccc3ccccc32)CC1
InChIInChI=1S/C22H27N3O/c1-23-13-15-24(16-14-23)17-21(26)22(19-8-3-2-4-9-19)25-12-11-18-7-5-6-10-20(18)25/h2-12,21-22,26H,13-17H2,1H3/t21-,22+/m0/s1
InChIKeyWNNACCODSWYYDZ-FCHUYYIVSA-N
MW349.48 g/mol
LogP2.84
Rot. Bonds5

About (1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol

(1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol (PubChem CID 59771315) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol
PubChem CID59771315
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol
SMILESCN1CCN(C[C@H](O)[C@@H](c2ccccc2)n2ccc3ccccc32)CC1
InChIInChI=1S/C22H27N3O/c1-23-13-15-24(16-14-23)17-21(26)22(19-8-3-2-4-9-19)25-12-11-18-7-5-6-10-20(18)25/h2-12,21-22,26H,13-17H2,1H3/t21-,22+/m0/s1
InChIKeyWNNACCODSWYYDZ-FCHUYYIVSA-N
XLogP2.84
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-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

(1S,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol
CID 45486546
(1S,2R)-1-(3-fluorophenyl)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 68905662
(1S,2R)-3-(4-methylpiperazin-1-yl)-1-phenyl-1-(5-phenylmethoxyindol-1-yl)propan-2-ol;hydrochloride
CID 69159430
(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
CID 68906230
1-[(4-methylpiperazin-1-yl)methyl]indole
CID 15851967
[(2R,3R)-2-hydroxy-3-indol-1-yl-3-phenylpropyl] 4-methylbenzenesulfonate
CID 141126955
(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
CID 45483087
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol
CID 62619504
1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 11659404
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
CID 7393596
N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 143114177
1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 3018029

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol?
The IUPAC name of (1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol (CID 59771315) is (1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol.
What is the SMILES notation for (1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol?
The canonical SMILES for (1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol is CN1CCN(C[C@H](O)[C@@H](c2ccccc2)n2ccc3ccccc32)CC1.
What is the InChIKey of (1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol?
The InChIKey is WNNACCODSWYYDZ-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H27N3O/c1-23-13-15-24(16-14-23)17-21(26)22(19-8-3-2-4-9-19)25-12-11-18-7-5-6-10-20(18)25/h2-12,21-22,26H,13-17H2,1H3/t21-,22+/m0/s1.
What are the key properties of (1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol?
(1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol has a molecular weight of 349.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-indol-1-yl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-ol is sourced from PubChem (CID 59771315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).