2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol

C17H23N3O — CID 39818455

IUPAC2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cnc3ccccc3c2)C[C@@H]1CCO
InChIInChI=1S/C17H23N3O/c1-19-7-8-20(13-16(19)6-9-21)12-14-10-15-4-2-3-5-17(15)18-11-14/h2-5,10-11,16,21H,6-9,12-13H2,1H3/t16-/m0/s1
InChIKeyMVEZTQYXRCNDJW-INIZCTEOSA-N
MW285.39 g/mol
LogP1.73
Rot. Bonds4

About 2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol

2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 39818455) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol
PubChem CID39818455
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cnc3ccccc3c2)C[C@@H]1CCO
InChIInChI=1S/C17H23N3O/c1-19-7-8-20(13-16(19)6-9-21)12-14-10-15-4-2-3-5-17(15)18-11-14/h2-5,10-11,16,21H,6-9,12-13H2,1H3/t16-/m0/s1
InChIKeyMVEZTQYXRCNDJW-INIZCTEOSA-N
XLogP1.73
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol
CID 29088518
2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45220474
2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 92764625
2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 124852713
2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 45213559
2-[1-[(4-fluorophenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-2-yl]ethanol
CID 45177358
2-[1-[(2-ethoxyphenyl)methyl]-4-(quinolin-6-ylmethyl)piperazin-2-yl]ethanol
CID 45194245
[(2S)-1,9-dimethyl-5-(quinolin-3-ylmethyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 100654194
2-[(2R)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98596791
[(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99930583
2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45248351
2-quinolin-3-ylethanol
CID 53403774

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol (CID 39818455) is 2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol is CN1CCN(Cc2cnc3ccccc3c2)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is MVEZTQYXRCNDJW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-7-8-20(13-16(19)6-9-21)12-14-10-15-4-2-3-5-17(15)18-11-14/h2-5,10-11,16,21H,6-9,12-13H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol?
2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 285.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 39818455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).