tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate

C11H22N2O2 — CID 24757764

IUPACtert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate
SMILESC[C@@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-8-5-9(7-12-6-8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyCNALVHVMBXLLIY-IUCAKERBSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds1

About tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate

tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate (PubChem CID 24757764) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate
PubChem CID24757764
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate
SMILESC[C@@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-8-5-9(7-12-6-8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyCNALVHVMBXLLIY-IUCAKERBSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-Boc-3-methylpiperazine
CID 7023035
tert-Butyl (2S)-2-methylpiperazine-1-carboxylate
CID 10081508
tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
CP-101537
CID 11127248
1-BOC-3-Aminopiperidine
CID 545809
4-(N-Boc-amino)piperidine
CID 723833
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate
CID 2756482
1-Boc-3-(aminomethyl)piperidine
CID 2756483
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate (CID 24757764) is tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate is C[C@@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate?
The InChIKey is CNALVHVMBXLLIY-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-5-9(7-12-6-8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate?
tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,5S)-5-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 24757764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).