N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline

C15H25N3 — CID 106760852

IUPACN,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline
SMILESCC1CNC(C)(C)CN1c1ccccc1N(C)C
InChIInChI=1S/C15H25N3/c1-12-10-16-15(2,3)11-18(12)14-9-7-6-8-13(14)17(4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyLUXIQCWRCXNZHO-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.33
Rot. Bonds2

About N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline

N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline (PubChem CID 106760852) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline
PubChem CID106760852
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline
SMILESCC1CNC(C)(C)CN1c1ccccc1N(C)C
InChIInChI=1S/C15H25N3/c1-12-10-16-15(2,3)11-18(12)14-9-7-6-8-13(14)17(4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyLUXIQCWRCXNZHO-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methylphenyl)-2,5,5-trimethylpiperazine
CID 82759229
2,5,5-trimethyl-1-(2,3,4-trifluorophenyl)piperazine
CID 64931376
1-(2,4-dichlorophenyl)-2,5,5-trimethylpiperazine
CID 64935835
1-(4-iodophenyl)-2,5,5-trimethylpiperazine
CID 64935112
N,N-dimethyl-2-(2,5,5-triethylpiperazin-1-yl)aniline
CID 106760860
1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine
CID 64948360
2-(5-butan-2-yl-2-methylpiperazin-1-yl)-N,N-dimethylaniline
CID 106760888
1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine
CID 64930174
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5,5-trimethylpiperazine
CID 64930962
1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine
CID 64935468
5-ethyl-1-(2-ethylphenyl)-2,5-dimethylpiperazine
CID 64932411
5-ethyl-2,5-dimethyl-1-(2-methylphenyl)piperazine
CID 64930880

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline?
The IUPAC name of N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline (CID 106760852) is N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline.
What is the SMILES notation for N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline?
The canonical SMILES for N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline is CC1CNC(C)(C)CN1c1ccccc1N(C)C.
What is the InChIKey of N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline?
The InChIKey is LUXIQCWRCXNZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-10-16-15(2,3)11-18(12)14-9-7-6-8-13(14)17(4)5/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline?
N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline has a molecular weight of 247.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline is sourced from PubChem (CID 106760852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).