2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol

C16H22N2OS — CID 29088518

IUPAC2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc3sccc3c2)C[C@@H]1CCO
InChIInChI=1S/C16H22N2OS/c1-17-6-7-18(12-15(17)4-8-19)11-13-2-3-16-14(10-13)5-9-20-16/h2-3,5,9-10,15,19H,4,6-8,11-12H2,1H3/t15-/m0/s1
InChIKeyMNBKRSALNZMUIK-HNNXBMFYSA-N
MW290.43 g/mol
LogP2.40
Rot. Bonds4

About 2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol

2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol (PubChem CID 29088518) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol
PubChem CID29088518
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc3sccc3c2)C[C@@H]1CCO
InChIInChI=1S/C16H22N2OS/c1-17-6-7-18(12-15(17)4-8-19)11-13-2-3-16-14(10-13)5-9-20-16/h2-3,5,9-10,15,19H,4,6-8,11-12H2,1H3/t15-/m0/s1
InChIKeyMNBKRSALNZMUIK-HNNXBMFYSA-N
XLogP2.40
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-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-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol
CID 39818455
2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 45213559
2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45220474
2-[(2R)-1-methyl-4-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperazin-2-yl]ethanol
CID 95869483
2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 92764625
2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 92770253
2-[(2R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 98576071
2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 124852713
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45173043
2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 51630860
2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 45190547
2-[[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methyl]-3,5-dimethoxybenzoic acid
CID 74237934

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol (CID 29088518) is 2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol is CN1CCN(Cc2ccc3sccc3c2)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol?
The InChIKey is MNBKRSALNZMUIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-17-6-7-18(12-15(17)4-8-19)11-13-2-3-16-14(10-13)5-9-20-16/h2-3,5,9-10,15,19H,4,6-8,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol?
2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol has a molecular weight of 290.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 29088518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).