tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate

C21H34N2O5 — CID 58742047

IUPACtert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate
SMILESCCOc1cc(OC)c(CNC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1
InChIInChI=1S/C21H34N2O5/c1-7-27-16-12-18(25-5)17(19(13-16)26-6)14-22-15-8-10-23(11-9-15)20(24)28-21(2,3)4/h12-13,15,22H,7-11,14H2,1-6H3
InChIKeyFPOVLVCMLHFKCQ-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.59
Rot. Bonds7

About tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate

tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate (PubChem CID 58742047) has the molecular formula C21H34N2O5 and a molecular weight of 394.51 g/mol. Its IUPAC name is tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate
PubChem CID58742047
Molecular FormulaC21H34N2O5
Molecular Weight394.51 g/mol
Exact Mass394.25
IUPAC Nametert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate
SMILESCCOc1cc(OC)c(CNC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1
InChIInChI=1S/C21H34N2O5/c1-7-27-16-12-18(25-5)17(19(13-16)26-6)14-22-15-8-10-23(11-9-15)20(24)28-21(2,3)4/h12-13,15,22H,7-11,14H2,1-6H3
InChIKeyFPOVLVCMLHFKCQ-UHFFFAOYSA-N
XLogP3.59
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate 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-[(4-cycloheptyl-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate
CID 163967221
tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]methylamino]piperidine-1-carboxylate;ethane;methanethiol
CID 143001406
tert-butyl 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 107241646
tert-butyl 4-[(5-bromo-2-methoxy-3-methylphenyl)methylamino]piperidine-1-carboxylate
CID 171919434
tert-butyl 4-[[5-(2-chloropyrimidin-4-yl)-2-methoxyphenyl]methylamino]piperidine-1-carboxylate
CID 86603291
tert-butyl 4-[[3-(methoxymethyl)phenyl]methylamino]azepane-1-carboxylate
CID 113361531
tert-butyl 4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidine-1-carboxylate
CID 103699049
tert-butyl 4-[(3-bromophenyl)methylamino]piperidine-1-carboxylate;ethane
CID 143006069
tert-butyl 4-[(4-chlorophenyl)methylamino]azepane-1-carboxylate
CID 103980818
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
CID 43652164
tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 67272176
tert-butyl 4-(prop-2-ynylamino)piperidine-1-carboxylate
CID 43652133

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate (CID 58742047) is tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate is CCOc1cc(OC)c(CNC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1.
What is the InChIKey of tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate?
The InChIKey is FPOVLVCMLHFKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O5/c1-7-27-16-12-18(25-5)17(19(13-16)26-6)14-22-15-8-10-23(11-9-15)20(24)28-21(2,3)4/h12-13,15,22H,7-11,14H2,1-6H3.
What are the key properties of tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate?
tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate has a molecular weight of 394.51 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-ethoxy-2,6-dimethoxyphenyl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 58742047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).