4-(4-benzylpiperazin-1-yl)-N-ethylaniline

C19H25N3 — CID 19911465

IUPAC4-(4-benzylpiperazin-1-yl)-N-ethylaniline
SMILESCCNc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H25N3/c1-2-20-18-8-10-19(11-9-18)22-14-12-21(13-15-22)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3
InChIKeyQQUARHYKHKXNFD-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.44
Rot. Bonds5

About 4-(4-benzylpiperazin-1-yl)-N-ethylaniline

4-(4-benzylpiperazin-1-yl)-N-ethylaniline (PubChem CID 19911465) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-ethylaniline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-ethylaniline
PubChem CID19911465
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-ethylaniline
SMILESCCNc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H25N3/c1-2-20-18-8-10-19(11-9-18)22-14-12-21(13-15-22)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3
InChIKeyQQUARHYKHKXNFD-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

4-(4-benzylpiperazin-1-yl)-N-(cyclopropylmethyl)aniline
CID 112722051
4-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]aniline
CID 1017282
N-benzyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721983
N-benzyl-4-(4-propylpiperazin-1-yl)aniline
CID 112721259
4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-ethylaniline;ethane
CID 145113346
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
N-(2-phenylethyl)-4-(4-propylpiperazin-1-yl)aniline
CID 112721256
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-benzylpiperazin-1-yl)aniline
CID 19644583
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-ethylaniline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-ethylaniline (CID 19911465) is 4-(4-benzylpiperazin-1-yl)-N-ethylaniline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-ethylaniline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-ethylaniline is CCNc1ccc(N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-ethylaniline?
The InChIKey is QQUARHYKHKXNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-2-20-18-8-10-19(11-9-18)22-14-12-21(13-15-22)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-ethylaniline?
4-(4-benzylpiperazin-1-yl)-N-ethylaniline 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 4-(4-benzylpiperazin-1-yl)-N-ethylaniline is sourced from PubChem (CID 19911465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).