2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline

C32H36N4 — CID 57145598

IUPAC2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline
SMILESCNc1ccc(-c2ccc(NC)c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C32H36N4/c1-33-30-16-13-25(14-17-30)28-15-18-31(34-2)29(23-28)24-35-19-21-36(22-20-35)32(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-18,23,32-34H,19-22,24H2,1-2H3
InChIKeyYHZUOJRILBMANE-UHFFFAOYSA-N
MW476.67 g/mol
LogP6.34
Rot. Bonds8

About 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline

2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline (PubChem CID 57145598) has the molecular formula C32H36N4 and a molecular weight of 476.67 g/mol. Its IUPAC name is 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline.

Molecular Properties

Compound Name2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline
PubChem CID57145598
Molecular FormulaC32H36N4
Molecular Weight476.67 g/mol
Exact Mass476.29
IUPAC Name2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline
SMILESCNc1ccc(-c2ccc(NC)c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C32H36N4/c1-33-30-16-13-25(14-17-30)28-15-18-31(34-2)29(23-28)24-35-19-21-36(22-20-35)32(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-18,23,32-34H,19-22,24H2,1-2H3
InChIKeyYHZUOJRILBMANE-UHFFFAOYSA-N
XLogP6.34
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
CID 3431056
1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine
CID 4529785
1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine
CID 15288241
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
3-[(4-benzhydrylpiperazin-1-yl)methyl]dibenzofuran-2-ol
CID 2129253
1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 3950108
2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
CID 31338650
1-[(4-chlorophenyl)-phenylmethyl]-4-[(4-methylphenyl)methyl]piperazine;dihydrochloride
CID 171382098
1-benzhydryl-4-butylpiperazine
CID 13416419
1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328320
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
CID 6444556
2-(4-benzhydrylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 4235260

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline?
The IUPAC name of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline (CID 57145598) is 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline.
What is the SMILES notation for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline?
The canonical SMILES for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline is CNc1ccc(-c2ccc(NC)c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)cc1.
What is the InChIKey of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline?
The InChIKey is YHZUOJRILBMANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4/c1-33-30-16-13-25(14-17-30)28-15-18-31(34-2)29(23-28)24-35-19-21-36(22-20-35)32(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-18,23,32-34H,19-22,24H2,1-2H3.
What are the key properties of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline?
2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline has a molecular weight of 476.67 g/mol, XLogP of 6.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-N-methyl-4-[4-(methylamino)phenyl]aniline is sourced from PubChem (CID 57145598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).