N-benzyl-4-(4-ethylpiperazin-1-yl)aniline

C19H25N3 — CID 112721983

IUPACN-benzyl-4-(4-ethylpiperazin-1-yl)aniline
SMILESCCN1CCN(c2ccc(NCc3ccccc3)cc2)CC1
InChIInChI=1S/C19H25N3/c1-2-21-12-14-22(15-13-21)19-10-8-18(9-11-19)20-16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3
InChIKeyXBMYCPQUKLTPOQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.44
Rot. Bonds5

About N-benzyl-4-(4-ethylpiperazin-1-yl)aniline

N-benzyl-4-(4-ethylpiperazin-1-yl)aniline (PubChem CID 112721983) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-benzyl-4-(4-ethylpiperazin-1-yl)aniline.

Molecular Properties

Compound NameN-benzyl-4-(4-ethylpiperazin-1-yl)aniline
PubChem CID112721983
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-benzyl-4-(4-ethylpiperazin-1-yl)aniline
SMILESCCN1CCN(c2ccc(NCc3ccccc3)cc2)CC1
InChIInChI=1S/C19H25N3/c1-2-21-12-14-22(15-13-21)19-10-8-18(9-11-19)20-16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3
InChIKeyXBMYCPQUKLTPOQ-UHFFFAOYSA-N
XLogP3.44
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-(4-propylpiperazin-1-yl)aniline
CID 112721259
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
4-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]aniline
CID 1017282
4-(4-benzylpiperazin-1-yl)-N-ethylaniline
CID 19911465
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
N-butyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721980
N-(2-phenylethyl)-4-(4-propylpiperazin-1-yl)aniline
CID 112721256
4-(4-ethylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)aniline
CID 112722012
N-(cyclopropylmethyl)-4-(4-ethylpiperazin-1-yl)aniline
CID 112721998
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline
CID 99834710
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43281242

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-ethylpiperazin-1-yl)aniline?
The IUPAC name of N-benzyl-4-(4-ethylpiperazin-1-yl)aniline (CID 112721983) is N-benzyl-4-(4-ethylpiperazin-1-yl)aniline.
What is the SMILES notation for N-benzyl-4-(4-ethylpiperazin-1-yl)aniline?
The canonical SMILES for N-benzyl-4-(4-ethylpiperazin-1-yl)aniline is CCN1CCN(c2ccc(NCc3ccccc3)cc2)CC1.
What is the InChIKey of N-benzyl-4-(4-ethylpiperazin-1-yl)aniline?
The InChIKey is XBMYCPQUKLTPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-2-21-12-14-22(15-13-21)19-10-8-18(9-11-19)20-16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3.
What are the key properties of N-benzyl-4-(4-ethylpiperazin-1-yl)aniline?
N-benzyl-4-(4-ethylpiperazin-1-yl)aniline has a molecular weight of 295.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-ethylpiperazin-1-yl)aniline is sourced from PubChem (CID 112721983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).