tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate

C19H26N2O3 — CID 141498366

IUPACtert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate
SMILESCc1cccc(C#N)c1OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26N2O3/c1-14-6-5-7-16(12-20)17(14)23-13-15-8-10-21(11-9-15)18(22)24-19(2,3)4/h5-7,15H,8-11,13H2,1-4H3
InChIKeyJNFMMXIQEUOLCV-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.89
Rot. Bonds3

About tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate

tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate (PubChem CID 141498366) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate
PubChem CID141498366
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nametert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate
SMILESCc1cccc(C#N)c1OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26N2O3/c1-14-6-5-7-16(12-20)17(14)23-13-15-8-10-21(11-9-15)18(22)24-19(2,3)4/h5-7,15H,8-11,13H2,1-4H3
InChIKeyJNFMMXIQEUOLCV-UHFFFAOYSA-N
XLogP3.89
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(2-cyano-6-methylphenoxy)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-amino-3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 154815063
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
tert-butyl 4-[(2-fluoro-6-nitrophenoxy)methyl]piperidine-1-carboxylate
CID 53255950
tert-butyl 3-[(2-methylphenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902814
tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate
CID 141098880
tert-butyl 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 55986374
tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
tert-butyl 4-[(4-bromo-2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 118053135
tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
CID 23034009
tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate
CID 22248451
tert-butyl 4-(2-cyanophenyl)sulfonylpiperidine-1-carboxylate
CID 53404123
tert-butyl 4-[2-[7-(cyclopropylmethoxy)-6-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine
CID 68916795

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate (CID 141498366) is tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate is Cc1cccc(C#N)c1OCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate?
The InChIKey is JNFMMXIQEUOLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-6-5-7-16(12-20)17(14)23-13-15-8-10-21(11-9-15)18(22)24-19(2,3)4/h5-7,15H,8-11,13H2,1-4H3.
What are the key properties of tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 141498366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).