2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine

C17H30N4 — CID 62885238

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine
SMILESCN(C)CCN1CCN(C(CN)Cc2ccccc2)CC1
InChIInChI=1S/C17H30N4/c1-19(2)8-9-20-10-12-21(13-11-20)17(15-18)14-16-6-4-3-5-7-16/h3-7,17H,8-15,18H2,1-2H3
InChIKeyVMJKYXLMIODIHO-UHFFFAOYSA-N
MW290.45 g/mol
LogP0.74
Rot. Bonds7

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine (PubChem CID 62885238) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine
PubChem CID62885238
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine
SMILESCN(C)CCN1CCN(C(CN)Cc2ccccc2)CC1
InChIInChI=1S/C17H30N4/c1-19(2)8-9-20-10-12-21(13-11-20)17(15-18)14-16-6-4-3-5-7-16/h3-7,17H,8-15,18H2,1-2H3
InChIKeyVMJKYXLMIODIHO-UHFFFAOYSA-N
XLogP0.74
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine 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

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 62885074
2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 55157460
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,4-dimethylpentan-1-amine
CID 62951340
2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207033
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine
CID 62886437
2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62886075
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
CID 79408430
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 121304863
2-(3-ethylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 113417146
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine
CID 62886596
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113073570

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine (CID 62885238) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine is CN(C)CCN1CCN(C(CN)Cc2ccccc2)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine?
The InChIKey is VMJKYXLMIODIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-19(2)8-9-20-10-12-21(13-11-20)17(15-18)14-16-6-4-3-5-7-16/h3-7,17H,8-15,18H2,1-2H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine is sourced from PubChem (CID 62885238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).