1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine

C19H26N4 — CID 170894568

IUPAC1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine
SMILESNCC(N)c1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H26N4/c20-14-18(21)17-8-4-5-9-19(17)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,18H,10-15,20-21H2
InChIKeyQJRNDFWGQTUHSS-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.97
Rot. Bonds5

About 1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine

1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine (PubChem CID 170894568) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine
PubChem CID170894568
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine
SMILESNCC(N)c1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H26N4/c20-14-18(21)17-8-4-5-9-19(17)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,18H,10-15,20-21H2
InChIKeyQJRNDFWGQTUHSS-UHFFFAOYSA-N
XLogP1.97
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine
CID 77131318
(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethane-1,2-diamine
CID 66517945
1-benzyl-4-(2-butan-2-ylphenyl)piperazine
CID 143140326
(1S)-1-(2-piperazin-1-ylphenyl)ethane-1,2-diamine
CID 66517777
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
1-benzyl-4-(2-nitrophenyl)piperazine
CID 518171
2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 95506080
2-(4-benzylpiperazin-1-yl)-5-bromoaniline
CID 11544746
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
CID 18071222

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine (CID 170894568) is 1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine is NCC(N)c1ccccc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine?
The InChIKey is QJRNDFWGQTUHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c20-14-18(21)17-8-4-5-9-19(17)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,18H,10-15,20-21H2.
What are the key properties of 1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine?
1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine has a molecular weight of 310.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 170894568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).