1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine

C28H42N4 — CID 170863059

IUPAC1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2ccccc2-c2ccccc2CCCN2CCN(C)CC2)CC1
InChIInChI=1S/C28H42N4/c1-29-17-21-31(22-18-29)15-7-11-25-9-3-5-13-27(25)28-14-6-4-10-26(28)12-8-16-32-23-19-30(2)20-24-32/h3-6,9-10,13-14H,7-8,11-12,15-24H2,1-2H3
InChIKeyINMJRNKVBBQWQU-UHFFFAOYSA-N
MW434.67 g/mol
LogP3.71
Rot. Bonds9

About 1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine

1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine (PubChem CID 170863059) has the molecular formula C28H42N4 and a molecular weight of 434.67 g/mol. Its IUPAC name is 1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
PubChem CID170863059
Molecular FormulaC28H42N4
Molecular Weight434.67 g/mol
Exact Mass434.34
IUPAC Name1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2ccccc2-c2ccccc2CCCN2CCN(C)CC2)CC1
InChIInChI=1S/C28H42N4/c1-29-17-21-31(22-18-29)15-7-11-25-9-3-5-13-27(25)28-14-6-4-10-26(28)12-8-16-32-23-19-30(2)20-24-32/h3-6,9-10,13-14H,7-8,11-12,15-24H2,1-2H3
InChIKeyINMJRNKVBBQWQU-UHFFFAOYSA-N
XLogP3.71
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.67
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine 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-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
CID 170862295
2-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonic acid
CID 170862354
1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
CID 170863077
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine
CID 170862374
4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953
(E)-3-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]prop-2-enoic acid
CID 170863220
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945
1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole
CID 170862469
7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864404
1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine
CID 170863354

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine (CID 170863059) is 1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine is CN1CCN(CCCc2ccccc2-c2ccccc2CCCN2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine?
The InChIKey is INMJRNKVBBQWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4/c1-29-17-21-31(22-18-29)15-7-11-25-9-3-5-13-27(25)28-14-6-4-10-26(28)12-8-16-32-23-19-30(2)20-24-32/h3-6,9-10,13-14H,7-8,11-12,15-24H2,1-2H3.
What are the key properties of 1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine?
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine has a molecular weight of 434.67 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine is sourced from PubChem (CID 170863059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).