4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline

C20H27N3 — CID 91671895

IUPAC4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline
SMILESCCc1cc(N2CCN(Cc3ccccc3)CC2)cc(C)c1N
InChIInChI=1S/C20H27N3/c1-3-18-14-19(13-16(2)20(18)21)23-11-9-22(10-12-23)15-17-7-5-4-6-8-17/h4-8,13-14H,3,9-12,15,21H2,1-2H3
InChIKeyIUHFNWYZAWFHMX-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.46
Rot. Bonds4

About 4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline

4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline (PubChem CID 91671895) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline
PubChem CID91671895
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline
SMILESCCc1cc(N2CCN(Cc3ccccc3)CC2)cc(C)c1N
InChIInChI=1S/C20H27N3/c1-3-18-14-19(13-16(2)20(18)21)23-11-9-22(10-12-23)15-17-7-5-4-6-8-17/h4-8,13-14H,3,9-12,15,21H2,1-2H3
InChIKeyIUHFNWYZAWFHMX-UHFFFAOYSA-N
XLogP3.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperazin-1-yl)-4,6-dimethylaniline
CID 91672089
2-chloro-6-ethyl-4-(4-phenylpiperazin-1-yl)aniline
CID 91671961
N-[[4-(4-benzylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 113228612
4-(4-benzylpiperazin-1-yl)-6-chloro-2,3-dimethylaniline
CID 91672004
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-methyl-3-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 75532069
5-(4-benzylpiperazin-1-yl)-4-methylpyridin-2-amine
CID 83970332
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
4-(4-benzyl-1,4-diazepan-1-yl)aniline
CID 28809122
4-(4-benzylpiperazin-1-yl)-N-ethylaniline
CID 19911465
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]carbamic acid
CID 21274449
3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
CID 110454866

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline (CID 91671895) is 4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline is CCc1cc(N2CCN(Cc3ccccc3)CC2)cc(C)c1N.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline?
The InChIKey is IUHFNWYZAWFHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-3-18-14-19(13-16(2)20(18)21)23-11-9-22(10-12-23)15-17-7-5-4-6-8-17/h4-8,13-14H,3,9-12,15,21H2,1-2H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline?
4-(4-benzylpiperazin-1-yl)-2-ethyl-6-methylaniline has a molecular weight of 309.46 g/mol, XLogP of 3.46, 4 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)-2-ethyl-6-methylaniline is sourced from PubChem (CID 91671895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).