tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate

C11H22N2O2 — CID 11310432

IUPACtert-butyl 4-amino-4-methylpiperidine-1-carboxylate
SMILESCC1(CCN(CC1)C(=O)OC(C)(C)C)N
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13/h5-8,12H2,1-4H3
InChIKeyDMBKWEHXTOCLTC-UHFFFAOYSA-N
MW214.30 g/mol
LogP0.90
Rot. Bonds2

About tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate

tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate (PubChem CID 11310432) has the molecular formula C11H22N2O2 and a molecular weight of 214.30 g/mol. Its IUPAC name is tert-butyl 4-amino-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-Butyl 4-amino-4-methylpiperidine-1-carboxylate
PubChem CID11310432
Molecular FormulaC11H22N2O2
Molecular Weight214.30 g/mol
Exact Mass214.17
IUPAC Nametert-butyl 4-amino-4-methylpiperidine-1-carboxylate
SMILESCC1(CCN(CC1)C(=O)OC(C)(C)C)N
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13/h5-8,12H2,1-4H3
InChIKeyDMBKWEHXTOCLTC-UHFFFAOYSA-N
XLogP0.90
TPSA55.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity237

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
1-BOC-3-Aminopiperidine
CID 545809
4-(N-Boc-amino)piperidine
CID 723833
4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
1-Boc-3-(aminomethyl)piperidine
CID 2756483
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
tert-Butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 2769591
Tert-butyl (piperidin-4-ylmethyl)carbamate
CID 723429
1-Boc-4-(aminomethyl)piperidine
CID 736817
tert-butyl N-[1-(piperidin-4-yl)ethyl]carbamate
CID 43523185
tert-butyl (3R)-3-aminopiperidine-1-carboxylate
CID 1501974

Frequently Asked Questions

What is the IUPAC name of tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate (CID 11310432) is tert-butyl 4-amino-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate is CC1(CCN(CC1)C(=O)OC(C)(C)C)N.
What is the InChIKey of tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate?
The InChIKey is DMBKWEHXTOCLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-5-11(4,12)6-8-13/h5-8,12H2,1-4H3.
What are the key properties of tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate?
tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate has a molecular weight of 214.30 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 11310432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).