tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate

C19H30N2O3 — CID 22248451

IUPACtert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate
SMILESCN(C)c1ccccc1OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)24-18(22)21-12-10-15(11-13-21)14-23-17-9-7-6-8-16(17)20(4)5/h6-9,15H,10-14H2,1-5H3
InChIKeyVMZISMQPNYDOGW-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.78
Rot. Bonds4

About tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate

tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate (PubChem CID 22248451) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate
PubChem CID22248451
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate
SMILESCN(C)c1ccccc1OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)24-18(22)21-12-10-15(11-13-21)14-23-17-9-7-6-8-16(17)20(4)5/h6-9,15H,10-14H2,1-5H3
InChIKeyVMZISMQPNYDOGW-UHFFFAOYSA-N
XLogP3.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]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-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
tert-butyl 4-[(2-amino-3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 154815063
tert-butyl 3-[(2-methylphenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902814
tert-butyl 4-[[2-(carbamothioylamino)phenoxy]methyl]piperidine-1-carboxylate
CID 169358975
tert-butyl 3-[(2-chlorophenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902815
tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 24902819
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
tert-butyl 4-[(2-chloro-5-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 166624650
tert-butyl 4-[(4-bromo-2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 118053135
tert-butyl 4-[(4-fluoro-2-pyrrolidin-1-ylphenoxy)methyl]piperidine-1-carboxylate
CID 168514807
tert-butyl 4-(1,3-benzoxazol-2-yloxymethyl)piperidine-1-carboxylate
CID 71630334
tert-butyl 4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidine-1-carboxylate
CID 66924145

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate (CID 22248451) is tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate is CN(C)c1ccccc1OCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate?
The InChIKey is VMZISMQPNYDOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-19(2,3)24-18(22)21-12-10-15(11-13-21)14-23-17-9-7-6-8-16(17)20(4)5/h6-9,15H,10-14H2,1-5H3.
What are the key properties of tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 22248451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).