2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide

C26H37N3O2 — CID 86895161

IUPAC2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CN(C)CC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C26H37N3O2/c1-21(23-10-6-4-7-11-23)28(3)26(31)20-27(2)18-22-14-16-29(17-15-22)19-25(30)24-12-8-5-9-13-24/h4-13,21-22,25,30H,14-20H2,1-3H3
InChIKeyZDNFMPOGFDKXRG-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.58
Rot. Bonds9

About 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide

2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 86895161) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID86895161
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CN(C)CC1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C26H37N3O2/c1-21(23-10-6-4-7-11-23)28(3)26(31)20-27(2)18-22-14-16-29(17-15-22)19-25(30)24-12-8-5-9-13-24/h4-13,21-22,25,30H,14-20H2,1-3H3
InChIKeyZDNFMPOGFDKXRG-UHFFFAOYSA-N
XLogP3.58
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide 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-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
3-[[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]methyl]benzoic acid
CID 122029023
2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol
CID 111635011
N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide
CID 126805110
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612776
(1S)-2-[4-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95289588
(1S)-2-[4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95292947
(2R)-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 99820905
(3S,5R)-3-[[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl-methylamino]-5-methyloxolan-2-one
CID 95291879
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
CID 95337387

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide (CID 86895161) is 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)CN(C)CC1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is ZDNFMPOGFDKXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-21(23-10-6-4-7-11-23)28(3)26(31)20-27(2)18-22-14-16-29(17-15-22)19-25(30)24-12-8-5-9-13-24/h4-13,21-22,25,30H,14-20H2,1-3H3.
What are the key properties of 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 423.60 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 86895161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).