4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline

C28H35N3 — CID 170864082

IUPAC4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(CCCN3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C28H35N3/c1-23-6-12-26(13-7-23)31(27-14-8-24(2)9-15-27)28-16-10-25(11-17-28)5-4-18-30-21-19-29(3)20-22-30/h6-17H,4-5,18-22H2,1-3H3
InChIKeyIPSHAUWFYNGTGR-UHFFFAOYSA-N
MW413.61 g/mol
LogP5.95
Rot. Bonds7

About 4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline

4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline (PubChem CID 170864082) has the molecular formula C28H35N3 and a molecular weight of 413.61 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline
PubChem CID170864082
Molecular FormulaC28H35N3
Molecular Weight413.61 g/mol
Exact Mass413.28
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(CCCN3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C28H35N3/c1-23-6-12-26(13-7-23)31(27-14-8-24(2)9-15-27)28-16-10-25(11-17-28)5-4-18-30-21-19-29(3)20-22-30/h6-17H,4-5,18-22H2,1-3H3
InChIKeyIPSHAUWFYNGTGR-UHFFFAOYSA-N
XLogP5.95
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline
CID 170863447
trifluoro-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]boranuide
CID 170862731
1-methyl-4-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-1,4-diazepane
CID 170863358
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine
CID 170863336
1-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]-4-methylpiperazine
CID 170864258
3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl 4-methylbenzenesulfonate
CID 170862606
4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 170862464
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
6-[4-(N-[4-(6-hydroxyhexyl)phenyl]-4-methylanilino)phenyl]hexan-1-ol
CID 20580260

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline (CID 170864082) is 4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(CCCN3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline?
The InChIKey is IPSHAUWFYNGTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3/c1-23-6-12-26(13-7-23)31(27-14-8-24(2)9-15-27)28-16-10-25(11-17-28)5-4-18-30-21-19-29(3)20-22-30/h6-17H,4-5,18-22H2,1-3H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline?
4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline has a molecular weight of 413.61 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline is sourced from PubChem (CID 170864082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).