tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate

C19H28N2O4 — CID 140761652

IUPACtert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate
SMILESCN(C)C(=O)Oc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)21-11-9-14(10-12-21)15-7-6-8-16(13-15)24-17(22)20(4)5/h6-8,13-14H,9-12H2,1-5H3
InChIKeyHDRFHTUTKODOKX-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.86
Rot. Bonds2

About tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate

tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate (PubChem CID 140761652) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate
PubChem CID140761652
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nametert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate
SMILESCN(C)C(=O)Oc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)21-11-9-14(10-12-21)15-7-6-8-16(13-15)24-17(22)20(4)5/h6-8,13-14H,9-12H2,1-5H3
InChIKeyHDRFHTUTKODOKX-UHFFFAOYSA-N
XLogP3.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[3-[(4-methylsulfanylphenyl)methoxy]phenyl]piperidine-1-carboxylate
CID 143927612
tert-butyl 4-(3-methylsulfonylphenyl)piperidine-1-carboxylate
CID 154721638
tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate
CID 22049422
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
CID 171716686
tert-butyl 4-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxylate
CID 22048588
tert-butyl 4-[3-[methyl-(6-oxopiperidin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 174362992
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
tert-butyl 3-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxylate
CID 57368635
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 69229226

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate (CID 140761652) is tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate is CN(C)C(=O)Oc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate?
The InChIKey is HDRFHTUTKODOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2,3)25-18(23)21-11-9-14(10-12-21)15-7-6-8-16(13-15)24-17(22)20(4)5/h6-8,13-14H,9-12H2,1-5H3.
What are the key properties of tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate?
tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 140761652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).