2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol

C17H23N3O — CID 23724059

IUPAC2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cccc3ncccc23)CC1CCO
InChIInChI=1S/C17H23N3O/c1-19-9-10-20(13-15(19)7-11-21)12-14-4-2-6-17-16(14)5-3-8-18-17/h2-6,8,15,21H,7,9-13H2,1H3
InChIKeyXMIPMHIRFKIPPG-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.73
Rot. Bonds4

About 2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol

2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 23724059) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol
PubChem CID23724059
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cccc3ncccc23)CC1CCO
InChIInChI=1S/C17H23N3O/c1-19-9-10-20(13-15(19)7-11-21)12-14-4-2-6-17-16(14)5-3-8-18-17/h2-6,8,15,21H,7,9-13H2,1H3
InChIKeyXMIPMHIRFKIPPG-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol (CID 23724059) is 2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol is CN1CCN(Cc2cccc3ncccc23)CC1CCO.
What is the InChIKey of 2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is XMIPMHIRFKIPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-9-10-20(13-15(19)7-11-21)12-14-4-2-6-17-16(14)5-3-8-18-17/h2-6,8,15,21H,7,9-13H2,1H3.
What are the key properties of 2-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol?
2-[1-methyl-4-(quinolin-5-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-[1-methyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23724059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).