N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine

C30H39N3O — CID 25116503

IUPACN-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H39N3O/c1-32(2)22-19-31-23-27-15-9-10-16-30(27)34-28-17-20-33(21-18-28)24-29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-16,28-29,31H,17-24H2,1-2H3
InChIKeyVZDWYNIEYFDNJK-UHFFFAOYSA-N
MW457.66 g/mol
LogP5.01
Rot. Bonds11

About N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 25116503) has the molecular formula C30H39N3O and a molecular weight of 457.66 g/mol. Its IUPAC name is N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID25116503
Molecular FormulaC30H39N3O
Molecular Weight457.66 g/mol
Exact Mass457.31
IUPAC NameN-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H39N3O/c1-32(2)22-19-31-23-27-15-9-10-16-30(27)34-28-17-20-33(21-18-28)24-29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-16,28-29,31H,17-24H2,1-2H3
InChIKeyVZDWYNIEYFDNJK-UHFFFAOYSA-N
XLogP5.01
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine
CID 25114669
3-(azepan-1-yl)-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]propan-1-amine
CID 25115116
N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 39433302
1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine
CID 25115343
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866480
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042861
N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine
CID 115005293
N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 110913208
1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 142661887
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 25116503) is N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is VZDWYNIEYFDNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O/c1-32(2)22-19-31-23-27-15-9-10-16-30(27)34-28-17-20-33(21-18-28)24-29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-16,28-29,31H,17-24H2,1-2H3.
What are the key properties of N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 457.66 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 25116503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).