2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline

C22H40N4Si — CID 69244625

IUPAC2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline
SMILESCc1c(NCCN2CCCC2)cc(CC[Si](C)(C)C)cc1N1CCNCC1
InChIInChI=1S/C22H40N4Si/c1-19-21(24-10-13-25-11-5-6-12-25)17-20(7-16-27(2,3)4)18-22(19)26-14-8-23-9-15-26/h17-18,23-24H,5-16H2,1-4H3
InChIKeyDFJHHZMJCJHNHH-UHFFFAOYSA-N
MW388.68 g/mol
LogP3.79
Rot. Bonds8

About 2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline

2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline (PubChem CID 69244625) has the molecular formula C22H40N4Si and a molecular weight of 388.68 g/mol. Its IUPAC name is 2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline.

Molecular Properties

Compound Name2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline
PubChem CID69244625
Molecular FormulaC22H40N4Si
Molecular Weight388.68 g/mol
Exact Mass388.30
IUPAC Name2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline
SMILESCc1c(NCCN2CCCC2)cc(CC[Si](C)(C)C)cc1N1CCNCC1
InChIInChI=1S/C22H40N4Si/c1-19-21(24-10-13-25-11-5-6-12-25)17-20(7-16-27(2,3)4)18-22(19)26-14-8-23-9-15-26/h17-18,23-24H,5-16H2,1-4H3
InChIKeyDFJHHZMJCJHNHH-UHFFFAOYSA-N
XLogP3.79
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.68
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline?
The IUPAC name of 2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline (CID 69244625) is 2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline.
What is the SMILES notation for 2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline?
The canonical SMILES for 2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline is Cc1c(NCCN2CCCC2)cc(CC[Si](C)(C)C)cc1N1CCNCC1.
What is the InChIKey of 2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline?
The InChIKey is DFJHHZMJCJHNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4Si/c1-19-21(24-10-13-25-11-5-6-12-25)17-20(7-16-27(2,3)4)18-22(19)26-14-8-23-9-15-26/h17-18,23-24H,5-16H2,1-4H3.
What are the key properties of 2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline?
2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline has a molecular weight of 388.68 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)-5-(2-trimethylsilylethyl)aniline is sourced from PubChem (CID 69244625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).