tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate

C14H27NO2 — CID 145107910

IUPACtert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
SMILESCCCC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-6-7-14(5)8-10-15(11-9-14)12(16)17-13(2,3)4/h6-11H2,1-5H3
InChIKeyCRRPWUQVHNPUCV-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.82
Rot. Bonds2

About tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate

tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate (PubChem CID 145107910) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
PubChem CID145107910
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
SMILESCCCC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-6-7-14(5)8-10-15(11-9-14)12(16)17-13(2,3)4/h6-11H2,1-5H3
InChIKeyCRRPWUQVHNPUCV-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate
CID 166935935
tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate
CID 146844151
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 4-methyl-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
CID 22248052
tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate
CID 129371675
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
ethyl 4-methyl-4-propylazepane-1-carboxylate
CID 146751878
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 2-(hydroxymethyl)-2-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 171657091
tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate
CID 107254611
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate (CID 145107910) is tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate is CCCC1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate?
The InChIKey is CRRPWUQVHNPUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-7-14(5)8-10-15(11-9-14)12(16)17-13(2,3)4/h6-11H2,1-5H3.
What are the key properties of tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate?
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate is sourced from PubChem (CID 145107910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).