2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol

C25H32N4O2 — CID 86895167

IUPAC2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
SMILESCc1ccc(-c2noc(CN(C)CC3CCN(CC(O)c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C25H32N4O2/c1-19-8-10-22(11-9-19)25-26-24(31-27-25)18-28(2)16-20-12-14-29(15-13-20)17-23(30)21-6-4-3-5-7-21/h3-11,20,23,30H,12-18H2,1-2H3
InChIKeyDPWOOMCFKGSJCN-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.92
Rot. Bonds8

About 2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol

2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol (PubChem CID 86895167) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
PubChem CID86895167
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
SMILESCc1ccc(-c2noc(CN(C)CC3CCN(CC(O)c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C25H32N4O2/c1-19-8-10-22(11-9-19)25-26-24(31-27-25)18-28(2)16-20-12-14-29(15-13-20)17-23(30)21-6-4-3-5-7-21/h3-11,20,23,30H,12-18H2,1-2H3
InChIKeyDPWOOMCFKGSJCN-UHFFFAOYSA-N
XLogP3.92
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol 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

(1S)-2-[4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95292947
(1S)-2-[4-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95289588
1-[4-[[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 86895112
1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 30852488
3-[[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]methyl]benzoic acid
CID 122029023
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
2-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
CID 109397716
N-benzhydryl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38142341
1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 86895121
phenyl-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 110883986
2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-phenylethanol
CID 45235261
(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95352032

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol (CID 86895167) is 2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol is Cc1ccc(-c2noc(CN(C)CC3CCN(CC(O)c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol?
The InChIKey is DPWOOMCFKGSJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-19-8-10-22(11-9-19)25-26-24(31-27-25)18-28(2)16-20-12-14-29(15-13-20)17-23(30)21-6-4-3-5-7-21/h3-11,20,23,30H,12-18H2,1-2H3.
What are the key properties of 2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol?
2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol has a molecular weight of 420.56 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 86895167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).