tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate

C19H29NO3 — CID 103915896

IUPACtert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
SMILESCc1ccc(COC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29NO3/c1-15-6-8-16(9-7-15)14-22-19(5)10-12-20(13-11-19)17(21)23-18(2,3)4/h6-9H,10-14H2,1-5H3
InChIKeyLEOOKDHXZSEKSH-UHFFFAOYSA-N
MW319.44 g/mol
LogP4.30
Rot. Bonds3

About tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate

tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate (PubChem CID 103915896) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
PubChem CID103915896
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Nametert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
SMILESCc1ccc(COC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29NO3/c1-15-6-8-16(9-7-15)14-22-19(5)10-12-20(13-11-19)17(21)23-18(2,3)4/h6-9H,10-14H2,1-5H3
InChIKeyLEOOKDHXZSEKSH-UHFFFAOYSA-N
XLogP4.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]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-methylphenyl)methoxy]piperidine-1-carboxylate
CID 19796267
tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate
CID 106940659
tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108899188
tert-butyl 4-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine-1-carboxylate
CID 103915919
tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate
CID 83207669
tert-butyl 4-methyl-4-(2,2,2-trifluoroethoxy)piperidine-1-carboxylate
CID 83207570
tert-butyl 4-(iodomethyl)-4-phenylmethoxypiperidine-1-carboxylate
CID 104969586
tert-butyl 3-methyl-3-[(1-methylpyrazol-4-yl)methoxy]pyrrolidine-1-carboxylate
CID 83206642
tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
CID 83207659
tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
CID 83206348
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate
CID 103915999

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate (CID 103915896) is tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate is Cc1ccc(COC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate?
The InChIKey is LEOOKDHXZSEKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-15-6-8-16(9-7-15)14-22-19(5)10-12-20(13-11-19)17(21)23-18(2,3)4/h6-9H,10-14H2,1-5H3.
What are the key properties of tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate?
tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate has a molecular weight of 319.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 103915896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).