4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline

C14H23N3 — CID 82290415

IUPAC4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline
SMILESCCN1CCNCC1c1ccc(N(C)C)cc1
InChIInChI=1S/C14H23N3/c1-4-17-10-9-15-11-14(17)12-5-7-13(8-6-12)16(2)3/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyWHBJHXQMDUBMAS-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.72
Rot. Bonds3

About 4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline

4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline (PubChem CID 82290415) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline
PubChem CID82290415
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline
SMILESCCN1CCNCC1c1ccc(N(C)C)cc1
InChIInChI=1S/C14H23N3/c1-4-17-10-9-15-11-14(17)12-5-7-13(8-6-12)16(2)3/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyWHBJHXQMDUBMAS-UHFFFAOYSA-N
XLogP1.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-1-ethylpiperazine
CID 82305436
2-(3,4-difluorophenyl)-1-ethylpiperazine
CID 67591073
5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione
CID 10538598
1-ethyl-2-(5-methylthiophen-2-yl)piperazine
CID 82673248
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 125001743
1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfonyl]phenyl]piperazine
CID 70136944
trimethyl-[(2-phenylpiperazin-1-yl)methyl]silane
CID 10444724
ethane;1-ethyl-2-[4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfinyl]phenyl]piperazine
CID 70136304
[(2S)-1-ethylpiperazin-2-yl]methanamine
CID 178078996
1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine
CID 114102162
2-phenyl-1-propyl-1,4-diazepane
CID 82242016
1-ethyl-2-(1H-imidazol-2-yl)piperazine
CID 82668736

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline (CID 82290415) is 4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline is CCN1CCNCC1c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline?
The InChIKey is WHBJHXQMDUBMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-17-10-9-15-11-14(17)12-5-7-13(8-6-12)16(2)3/h5-8,14-15H,4,9-11H2,1-3H3.
What are the key properties of 4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline?
4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline has a molecular weight of 233.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperazin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 82290415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).