N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine

C34H43N3 — CID 143530502

IUPACN-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine
SMILESC=C(NC1CCN(C)CC1)c1ccc(CC2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C34H43N3/c1-27(35-33-19-21-36(2)22-20-33)30-15-13-28(14-16-30)25-29-17-23-37(24-18-29)26-34(31-9-5-3-6-10-31)32-11-7-4-8-12-32/h3-16,29,33-35H,1,17-26H2,2H3
InChIKeyJEOLQONCINLKRO-UHFFFAOYSA-N
MW493.74 g/mol
LogP6.43
Rot. Bonds9

About N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine

N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine (PubChem CID 143530502) has the molecular formula C34H43N3 and a molecular weight of 493.74 g/mol. Its IUPAC name is N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine
PubChem CID143530502
Molecular FormulaC34H43N3
Molecular Weight493.74 g/mol
Exact Mass493.35
IUPAC NameN-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine
SMILESC=C(NC1CCN(C)CC1)c1ccc(CC2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C34H43N3/c1-27(35-33-19-21-36(2)22-20-33)30-15-13-28(14-16-30)25-29-17-23-37(24-18-29)26-34(31-9-5-3-6-10-31)32-11-7-4-8-12-32/h3-16,29,33-35H,1,17-26H2,2H3
InChIKeyJEOLQONCINLKRO-UHFFFAOYSA-N
XLogP6.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.74
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine with MolForge

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Related Compounds

4-benzyl-1-methylpiperidine;ethane
CID 142009767
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
4-benzyl-1-methylazepane
CID 123177845
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 66455203
3-(4-benzylpiperidin-1-yl)-2-methylpropanehydrazide
CID 63573249
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650
4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol
CID 64898583
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 25205927
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine (CID 143530502) is N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine is C=C(NC1CCN(C)CC1)c1ccc(CC2CCN(CC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine?
The InChIKey is JEOLQONCINLKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3/c1-27(35-33-19-21-36(2)22-20-33)30-15-13-28(14-16-30)25-29-17-23-37(24-18-29)26-34(31-9-5-3-6-10-31)32-11-7-4-8-12-32/h3-16,29,33-35H,1,17-26H2,2H3.
What are the key properties of N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine?
N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine has a molecular weight of 493.74 g/mol, XLogP of 6.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[1-(2,2-diphenylethyl)piperidin-4-yl]methyl]phenyl]ethenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 143530502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).