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

C20H31N3O — CID 23724080

IUPAC2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(Cc2cn(C)c3ccccc23)CC1CCO
InChIInChI=1S/C20H31N3O/c1-16(2)12-23-10-9-22(15-18(23)8-11-24)14-17-13-21(3)20-7-5-4-6-19(17)20/h4-7,13,16,18,24H,8-12,14-15H2,1-3H3
InChIKeyKGGIVTRYUGCJES-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.70
Rot. Bonds6

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

2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 23724080) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID23724080
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(Cc2cn(C)c3ccccc23)CC1CCO
InChIInChI=1S/C20H31N3O/c1-16(2)12-23-10-9-22(15-18(23)8-11-24)14-17-13-21(3)20-7-5-4-6-19(17)20/h4-7,13,16,18,24H,8-12,14-15H2,1-3H3
InChIKeyKGGIVTRYUGCJES-UHFFFAOYSA-N
XLogP2.70
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 23724080) is 2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is CC(C)CN1CCN(Cc2cn(C)c3ccccc23)CC1CCO.
What is the InChIKey of 2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is KGGIVTRYUGCJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16(2)12-23-10-9-22(15-18(23)8-11-24)14-17-13-21(3)20-7-5-4-6-19(17)20/h4-7,13,16,18,24H,8-12,14-15H2,1-3H3.
What are the key properties of 2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 329.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylindol-3-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23724080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).