2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline

C17H29N3 — CID 106760888

IUPAC2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCCC(C)C1CN(c2ccccc2N(C)C)C(C)CN1
InChIInChI=1S/C17H29N3/c1-6-13(2)15-12-20(14(3)11-18-15)17-10-8-7-9-16(17)19(4)5/h7-10,13-15,18H,6,11-12H2,1-5H3
InChIKeyJGVMZXFJXLTKSJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.97
Rot. Bonds4

About 2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline

2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline (PubChem CID 106760888) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
PubChem CID106760888
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
SMILESCCC(C)C1CN(c2ccccc2N(C)C)C(C)CN1
InChIInChI=1S/C17H29N3/c1-6-13(2)15-12-20(14(3)11-18-15)17-10-8-7-9-16(17)19(4)5/h7-10,13-15,18H,6,11-12H2,1-5H3
InChIKeyJGVMZXFJXLTKSJ-UHFFFAOYSA-N
XLogP2.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
CID 64953705
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CID 64936488
5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 64951883
5-butan-2-yl-1-[2-(difluoromethoxy)phenyl]-2-methylpiperazine
CID 64938638
5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine
CID 64939257
5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64939080
5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
CID 107854034
5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
CID 64936737
5-butan-2-yl-1-(2-chloro-6-methylphenyl)-2-methylpiperazine
CID 66254143
1-(5-bromo-4-fluoro-2-methylphenyl)-5-butan-2-yl-2-methylpiperazine
CID 107594278
2-methyl-1-naphthalen-1-yl-5-propan-2-ylpiperazine
CID 64952275
5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
CID 64937522

Frequently Asked Questions

What is the IUPAC name of 2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline?
The IUPAC name of 2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline (CID 106760888) is 2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline is CCC(C)C1CN(c2ccccc2N(C)C)C(C)CN1.
What is the InChIKey of 2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline?
The InChIKey is JGVMZXFJXLTKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-6-13(2)15-12-20(14(3)11-18-15)17-10-8-7-9-16(17)19(4)5/h7-10,13-15,18H,6,11-12H2,1-5H3.
What are the key properties of 2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline?
2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline has a molecular weight of 275.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 106760888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).