4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline

C15H25N3 — CID 117111686

IUPAC4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
SMILESCCc1ccc(N(C)C)c(CN2CCNCC2)c1
InChIInChI=1S/C15H25N3/c1-4-13-5-6-15(17(2)3)14(11-13)12-18-9-7-16-8-10-18/h5-6,11,16H,4,7-10,12H2,1-3H3
InChIKeySIPHLACSRJBXLD-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.72
Rot. Bonds4

About 4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline

4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline (PubChem CID 117111686) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
PubChem CID117111686
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
SMILESCCc1ccc(N(C)C)c(CN2CCNCC2)c1
InChIInChI=1S/C15H25N3/c1-4-13-5-6-15(17(2)3)14(11-13)12-18-9-7-16-8-10-18/h5-6,11,16H,4,7-10,12H2,1-3H3
InChIKeySIPHLACSRJBXLD-UHFFFAOYSA-N
XLogP1.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
CID 117377580
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
2-bromo-4-ethyl-6-(piperazin-1-ylmethyl)phenol
CID 117482043
1-[(3-chloro-5-ethyl-2-fluorophenyl)methyl]piperazine
CID 117395459
2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
CID 117111789
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[(4-ethylphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906411
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine
CID 117415820
1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117410722
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline?
The IUPAC name of 4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline (CID 117111686) is 4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline.
What is the SMILES notation for 4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline?
The canonical SMILES for 4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline is CCc1ccc(N(C)C)c(CN2CCNCC2)c1.
What is the InChIKey of 4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline?
The InChIKey is SIPHLACSRJBXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-13-5-6-15(17(2)3)14(11-13)12-18-9-7-16-8-10-18/h5-6,11,16H,4,7-10,12H2,1-3H3.
What are the key properties of 4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline?
4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline has a molecular weight of 247.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline is sourced from PubChem (CID 117111686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).