2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol

C23H28FN3O — CID 29021714

IUPAC2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCn1cc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c2ccccc21
InChIInChI=1S/C23H28FN3O/c1-25-14-19(21-7-3-5-9-23(21)25)15-26-11-12-27(20(17-26)10-13-28)16-18-6-2-4-8-22(18)24/h2-9,14,20,28H,10-13,15-17H2,1H3/t20-/m0/s1
InChIKeyATNKBFLDVDAFNI-FQEVSTJZSA-N
MW381.50 g/mol
LogP3.39
Rot. Bonds6

About 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol

2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 29021714) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
PubChem CID29021714
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCn1cc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c2ccccc21
InChIInChI=1S/C23H28FN3O/c1-25-14-19(21-7-3-5-9-23(21)25)15-26-11-12-27(20(17-26)10-13-28)16-18-6-2-4-8-22(18)24/h2-9,14,20,28H,10-13,15-17H2,1H3/t20-/m0/s1
InChIKeyATNKBFLDVDAFNI-FQEVSTJZSA-N
XLogP3.39
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-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-[(2R)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
CID 51907395
2-[(2S)-4-[(1-methylindol-3-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 30852132
2-[4-[(2,3-dimethoxyphenyl)methyl]-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45193918
2-[(2S)-4-(2-ethoxyethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 99963545
2-[[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 51909759
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 98587642
2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 51634610
2-[1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
CID 45242331
2-[4-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45195244
2-[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45193283
2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 30728417
2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 30735774

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol (CID 29021714) is 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol is Cn1cc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c2ccccc21.
What is the InChIKey of 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is ATNKBFLDVDAFNI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-25-14-19(21-7-3-5-9-23(21)25)15-26-11-12-27(20(17-26)10-13-28)16-18-6-2-4-8-22(18)24/h2-9,14,20,28H,10-13,15-17H2,1H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 381.50 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29021714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).