1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine

C17H29N3 — CID 79658524

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)C1CN(C)CCN1C
InChIInChI=1S/C17H29N3/c1-4-18-16(11-10-15-8-6-5-7-9-15)17-14-19(2)12-13-20(17)3/h5-9,16-18H,4,10-14H2,1-3H3
InChIKeyZVXLCSSCIBVLKP-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.84
Rot. Bonds6

About 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine

1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine (PubChem CID 79658524) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine
PubChem CID79658524
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)C1CN(C)CCN1C
InChIInChI=1S/C17H29N3/c1-4-18-16(11-10-15-8-6-5-7-9-15)17-14-19(2)12-13-20(17)3/h5-9,16-18H,4,10-14H2,1-3H3
InChIKeyZVXLCSSCIBVLKP-UHFFFAOYSA-N
XLogP1.84
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-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

[1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-phenylpropyl]hydrazine
CID 105261185
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658445
1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011971
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 79659440
2-(2-chloro-6-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79664378
1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine
CID 79659517
1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
CID 79658342
2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658778
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 79658692
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine
CID 79658440
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79658853
1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine
CID 62881944

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine (CID 79658524) is 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine?
The InChIKey is ZVXLCSSCIBVLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-18-16(11-10-15-8-6-5-7-9-15)17-14-19(2)12-13-20(17)3/h5-9,16-18H,4,10-14H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 79658524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).