tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine

C19H42N2O2 — CID 143988709

IUPACtert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine
SMILESC.C1CCNCC1.CC.CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H21NO2.C5H11N.C2H6.CH4/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-2-4-6-5-3-1;1-2;/h9H,5-8H2,1-4H3;6H,1-5H2;1-2H3;1H4
InChIKeyXXAXCSWWJSNUOY-UHFFFAOYSA-N
MW330.56 g/mol
LogP5.08
Rot. Bonds

About tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine

tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine (PubChem CID 143988709) has the molecular formula C19H42N2O2 and a molecular weight of 330.56 g/mol. Its IUPAC name is tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine.

Molecular Properties

Compound Nametert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine
PubChem CID143988709
Molecular FormulaC19H42N2O2
Molecular Weight330.56 g/mol
Exact Mass330.32
IUPAC Nametert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine
SMILESC.C1CCNCC1.CC.CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H21NO2.C5H11N.C2H6.CH4/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-2-4-6-5-3-1;1-2;/h9H,5-8H2,1-4H3;6H,1-5H2;1-2H3;1H4
InChIKeyXXAXCSWWJSNUOY-UHFFFAOYSA-N
XLogP5.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
Tert-butyl (piperidin-4-ylmethyl)carbamate
CID 723429
Tert-butyl (1R,5S)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 75487613
N-Boc-N'-Boc-4,4'-bipiperidine
CID 44523441
1-Boc-4-(aminomethyl)piperidine
CID 736817
tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 15296367
1-Oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 22386714
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
CID 23004743
tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
CID 21934652
tert-butyl N-methyl-N-[(piperidin-3-yl)methyl]carbamate
CID 23004744
tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate
CID 1514256
tert-Butyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 1514258

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine?
The IUPAC name of tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine (CID 143988709) is tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine.
What is the SMILES notation for tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine?
The canonical SMILES for tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine is C.C1CCNCC1.CC.CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine?
The InChIKey is XXAXCSWWJSNUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C5H11N.C2H6.CH4/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-2-4-6-5-3-1;1-2;/h9H,5-8H2,1-4H3;6H,1-5H2;1-2H3;1H4.
What are the key properties of tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine?
tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine has a molecular weight of 330.56 g/mol, XLogP of 5.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methylpiperidine-1-carboxylate;ethane;methane;piperidine is sourced from PubChem (CID 143988709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).