2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine

C36H37N3 — CID 54188664

IUPAC2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine
SMILESc1ccc(CC2CC(NCc3ccnc4ccccc34)CCN2CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H37N3/c1-4-12-28(13-5-1)24-33-25-32(38-26-31-20-22-37-36-19-11-10-18-34(31)36)21-23-39(33)27-35(29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1-20,22,32-33,35,38H,21,23-27H2
InChIKeyPGYBVNULCGUCGL-UHFFFAOYSA-N
MW511.71 g/mol
LogP7.23
Rot. Bonds9

About 2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine

2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine (PubChem CID 54188664) has the molecular formula C36H37N3 and a molecular weight of 511.71 g/mol. Its IUPAC name is 2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine
PubChem CID54188664
Molecular FormulaC36H37N3
Molecular Weight511.71 g/mol
Exact Mass511.30
IUPAC Name2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine
SMILESc1ccc(CC2CC(NCc3ccnc4ccccc34)CCN2CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H37N3/c1-4-12-28(13-5-1)24-33-25-32(38-26-31-20-22-37-36-19-11-10-18-34(31)36)21-23-39(33)27-35(29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1-20,22,32-33,35,38H,21,23-27H2
InChIKeyPGYBVNULCGUCGL-UHFFFAOYSA-N
XLogP7.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.71
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine 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

2-benzyl-1-[(2,3-dichlorophenyl)methyl]-N-(quinolin-4-ylmethyl)piperidin-4-amine
CID 67732236
(2R,4S)-2-benzyl-1-[(2,4-dichlorophenyl)methyl]-N-(quinolin-4-ylmethyl)piperidin-4-amine
CID 57094336
1-[2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-2-phenylethanone
CID 54116273
[2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 54095606
(2R,4S)-2-benzyl-1-[2-[2-(5-chloro-1,2,4-triazol-1-yl)phenoxy]ethyl]-N-(quinolin-4-ylmethyl)piperidin-4-amine
CID 139663461
[(2R,4S)-2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 57042465
(2S,4S)-2-benzyl-1-[2-[5-chloro-2-(1,2,4-triazol-1-yl)phenoxy]ethyl]-N-(quinolin-4-ylmethyl)piperidin-4-amine
CID 57048940
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
(3,5-dimethylphenyl)-[2-[(3-methoxyphenyl)methyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]methanone
CID 54132236
[(2R,4R)-2-[(S)-(3,4-dichlorophenyl)-hydroxymethyl]-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57134719
2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 78952536
3-ethoxy-N-(quinolin-4-ylmethyl)cyclobutan-1-amine
CID 103917632

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine (CID 54188664) is 2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine is c1ccc(CC2CC(NCc3ccnc4ccccc34)CCN2CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine?
The InChIKey is PGYBVNULCGUCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3/c1-4-12-28(13-5-1)24-33-25-32(38-26-31-20-22-37-36-19-11-10-18-34(31)36)21-23-39(33)27-35(29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1-20,22,32-33,35,38H,21,23-27H2.
What are the key properties of 2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine?
2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine has a molecular weight of 511.71 g/mol, XLogP of 7.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2,2-diphenylethyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 54188664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).