tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate

C12H24N2O2 — CID 58332169

IUPACtert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate
SMILESC[C@@H]1CCNC[C@@H]1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9-6-7-13-8-10(9)14(5)11(15)16-12(2,3)4/h9-10,13H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyGEUGTHQTDCPAHY-ZJUUUORDSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds1

About tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate

tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate (PubChem CID 58332169) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate
PubChem CID58332169
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate
SMILESC[C@@H]1CCNC[C@@H]1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9-6-7-13-8-10(9)14(5)11(15)16-12(2,3)4/h9-10,13H,6-8H2,1-5H3/t9-,10+/m1/s1
InChIKeyGEUGTHQTDCPAHY-ZJUUUORDSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-(3-methylpiperidin-4-yl)carbamate
CID 53415355
tert-butyl-(4-methylpiperidin-3-yl)carbamic acid
CID 67241407
trans-(1S,2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 154279846
tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate
CID 97056703
tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
tert-butyl 3-methylpiperidine-4-carboxylate
CID 3356505
tert-butyl N-methyl-N-(piperidin-4-ylamino)carbamate
CID 68876436
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
CID 107245215
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 167504165

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate (CID 58332169) is tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate is C[C@@H]1CCNC[C@@H]1N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate?
The InChIKey is GEUGTHQTDCPAHY-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-7-13-8-10(9)14(5)11(15)16-12(2,3)4/h9-10,13H,6-8H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate?
tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 58332169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).