2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride

C14H28Cl4N4 — CID 68738607

IUPAC2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NCCN1CCN(CCN)C(c2ccccc2)C1
InChIInChI=1S/C14H24N4.4ClH/c15-6-8-17-10-11-18(9-7-16)14(12-17)13-4-2-1-3-5-13;;;;/h1-5,14H,6-12,15-16H2;4*1H
InChIKeyHFDQPZOZPAWKSS-UHFFFAOYSA-N
MW394.22 g/mol
LogP1.95
Rot. Bonds5

About 2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride

2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride (PubChem CID 68738607) has the molecular formula C14H28Cl4N4 and a molecular weight of 394.22 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride
PubChem CID68738607
Molecular FormulaC14H28Cl4N4
Molecular Weight394.22 g/mol
Exact Mass392.11
IUPAC Name2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NCCN1CCN(CCN)C(c2ccccc2)C1
InChIInChI=1S/C14H24N4.4ClH/c15-6-8-17-10-11-18(9-7-16)14(12-17)13-4-2-1-3-5-13;;;;/h1-5,14H,6-12,15-16H2;4*1H
InChIKeyHFDQPZOZPAWKSS-UHFFFAOYSA-N
XLogP1.95
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-phenyl-1,4-dipropylpiperazine
CID 124541393
2-(2-phenylpiperidin-1-yl)ethanamine
CID 69157822
3-(2-phenylaziridin-1-yl)propan-1-amine
CID 158362173
(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577108
4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577111
4-benzyl-3-phenylpiperazin-1-amine
CID 3030044
2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine
CID 71179455
2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
CID 129181309
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
CID 18070759
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
2-(2-phenylimidazolidin-1-yl)ethanamine
CID 157175251
2-[4-tert-butyl-3-(2-propan-2-ylphenyl)piperazin-1-yl]ethanamine
CID 177108408

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride?
The IUPAC name of 2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride (CID 68738607) is 2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride.
What is the SMILES notation for 2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride?
The canonical SMILES for 2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride is Cl.Cl.Cl.Cl.NCCN1CCN(CCN)C(c2ccccc2)C1.
What is the InChIKey of 2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride?
The InChIKey is HFDQPZOZPAWKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4.4ClH/c15-6-8-17-10-11-18(9-7-16)14(12-17)13-4-2-1-3-5-13;;;;/h1-5,14H,6-12,15-16H2;4*1H.
What are the key properties of 2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride?
2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride has a molecular weight of 394.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-3-phenylpiperazin-1-yl]ethanamine;tetrahydrochloride is sourced from PubChem (CID 68738607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).