tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane

C28H42N2O2 — CID 142119286

IUPACtert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane
SMILESC.Cc1ccc(C(CCC2CCN(C(=O)OC(C)(C)C)CC2)c2ncccc2C)c(C)c1
InChIInChI=1S/C27H38N2O2.CH4/c1-19-9-11-23(21(3)18-19)24(25-20(2)8-7-15-28-25)12-10-22-13-16-29(17-14-22)26(30)31-27(4,5)6;/h7-9,11,15,18,22,24H,10,12-14,16-17H2,1-6H3;1H4
InChIKeyIOUGXOUQAJCTKB-UHFFFAOYSA-N
MW438.66 g/mol
LogP7.20
Rot. Bonds5

About tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane

tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane (PubChem CID 142119286) has the molecular formula C28H42N2O2 and a molecular weight of 438.66 g/mol. Its IUPAC name is tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane.

Molecular Properties

Compound Nametert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane
PubChem CID142119286
Molecular FormulaC28H42N2O2
Molecular Weight438.66 g/mol
Exact Mass438.32
IUPAC Nametert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane
SMILESC.Cc1ccc(C(CCC2CCN(C(=O)OC(C)(C)C)CC2)c2ncccc2C)c(C)c1
InChIInChI=1S/C27H38N2O2.CH4/c1-19-9-11-23(21(3)18-19)24(25-20(2)8-7-15-28-25)12-10-22-13-16-29(17-14-22)26(30)31-27(4,5)6;/h7-9,11,15,18,22,24H,10,12-14,16-17H2,1-6H3;1H4
InChIKeyIOUGXOUQAJCTKB-UHFFFAOYSA-N
XLogP7.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane 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

tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate
CID 67271625
tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 24902513
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 67272176
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 4-[3-[4-(1-methoxyethyl)-3-methylphenoxy]propyl]piperidine-1-carboxylate
CID 123723111
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl (3R)-3-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97351178
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]benzoic acid
CID 57421826
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate
CID 66509368

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane?
The IUPAC name of tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane (CID 142119286) is tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane.
What is the SMILES notation for tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane?
The canonical SMILES for tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane is C.Cc1ccc(C(CCC2CCN(C(=O)OC(C)(C)C)CC2)c2ncccc2C)c(C)c1.
What is the InChIKey of tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane?
The InChIKey is IOUGXOUQAJCTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2.CH4/c1-19-9-11-23(21(3)18-19)24(25-20(2)8-7-15-28-25)12-10-22-13-16-29(17-14-22)26(30)31-27(4,5)6;/h7-9,11,15,18,22,24H,10,12-14,16-17H2,1-6H3;1H4.
What are the key properties of tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane?
tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane has a molecular weight of 438.66 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2,4-dimethylphenyl)-3-(3-methyl-2-pyridinyl)propyl]piperidine-1-carboxylate;methane is sourced from PubChem (CID 142119286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).