tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate

C12H23NO2 — CID 134905805

IUPACtert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
SMILESCN1CCCC[C@H]1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-12(2,3)15-11(14)9-10-7-5-6-8-13(10)4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyKCHXGPKJVROUIG-JTQLQIEISA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds2

About tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate

tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate (PubChem CID 134905805) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
PubChem CID134905805
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
SMILESCN1CCCC[C@H]1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-12(2,3)15-11(14)9-10-7-5-6-8-13(10)4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyKCHXGPKJVROUIG-JTQLQIEISA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
tert-butyl N-[1-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 107243370
tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087
tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate
CID 80560787
1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
CID 110849813
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid
CID 175561216
tert-butyl 4-methyl-4-[(1-methylpiperidin-2-yl)methylamino]piperidine-1-carboxylate
CID 107254396
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
CID 46242410
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal
CID 117266799

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate?
The IUPAC name of tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate (CID 134905805) is tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate?
The canonical SMILES for tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate is CN1CCCC[C@H]1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate?
The InChIKey is KCHXGPKJVROUIG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)15-11(14)9-10-7-5-6-8-13(10)4/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate?
tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate has a molecular weight of 213.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate is sourced from PubChem (CID 134905805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).