2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole

C16H25N3 — CID 80567466

IUPAC2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCCN1CCN(CC2Cc3ccccc3N2)CC1C
InChIInChI=1S/C16H25N3/c1-3-19-9-8-18(11-13(19)2)12-15-10-14-6-4-5-7-16(14)17-15/h4-7,13,15,17H,3,8-12H2,1-2H3
InChIKeyKEBIJFYTLWATFY-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.05
Rot. Bonds3

About 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole

2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 80567466) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID80567466
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCCN1CCN(CC2Cc3ccccc3N2)CC1C
InChIInChI=1S/C16H25N3/c1-3-19-9-8-18(11-13(19)2)12-15-10-14-6-4-5-7-16(14)17-15/h4-7,13,15,17H,3,8-12H2,1-2H3
InChIKeyKEBIJFYTLWATFY-UHFFFAOYSA-N
XLogP2.05
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 80567466) is 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is CCN1CCN(CC2Cc3ccccc3N2)CC1C.
What is the InChIKey of 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is KEBIJFYTLWATFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-19-9-8-18(11-13(19)2)12-15-10-14-6-4-5-7-16(14)17-15/h4-7,13,15,17H,3,8-12H2,1-2H3.
What are the key properties of 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 259.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 80567466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).