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

C17H25N3O — CID 23723472

IUPAC2-[1-methyl-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cn(C)c3ccccc23)CC1CCO
InChIInChI=1S/C17H25N3O/c1-18-8-9-20(13-15(18)7-10-21)12-14-11-19(2)17-6-4-3-5-16(14)17/h3-6,11,15,21H,7-10,12-13H2,1-2H3
InChIKeyYDAZIVCXKDZRRN-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.68
Rot. Bonds4

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

2-[1-methyl-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723472) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[1-methyl-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
PubChem CID23723472
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[1-methyl-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2cn(C)c3ccccc23)CC1CCO
InChIInChI=1S/C17H25N3O/c1-18-8-9-20(13-15(18)7-10-21)12-14-11-19(2)17-6-4-3-5-16(14)17/h3-6,11,15,21H,7-10,12-13H2,1-2H3
InChIKeyYDAZIVCXKDZRRN-UHFFFAOYSA-N
XLogP1.68
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.68
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-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-methyl-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol (CID 23723472) is 2-[1-methyl-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-methyl-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol is CN1CCN(Cc2cn(C)c3ccccc23)CC1CCO.
What is the InChIKey of 2-[1-methyl-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is YDAZIVCXKDZRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-18-8-9-20(13-15(18)7-10-21)12-14-11-19(2)17-6-4-3-5-16(14)17/h3-6,11,15,21H,7-10,12-13H2,1-2H3.
What are the key properties of 2-[1-methyl-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol?
2-[1-methyl-4-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 287.41 g/mol, XLogP of 1.68, 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-[(1-methylindol-3-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).