tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate

C14H28N2O2 — CID 117274696

IUPACtert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate
SMILESCC1(CNC(=O)OC(C)(C)C)CCNC(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-12(2,3)18-11(17)15-10-14(6)7-8-16-13(4,5)9-14/h16H,7-10H2,1-6H3,(H,15,17)
InChIKeyMNTZXGBVYTUARY-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.68
Rot. Bonds2

About tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate

tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate (PubChem CID 117274696) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate
PubChem CID117274696
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate
SMILESCC1(CNC(=O)OC(C)(C)C)CCNC(C)(C)C1
InChIInChI=1S/C14H28N2O2/c1-12(2,3)18-11(17)15-10-14(6)7-8-16-13(4,5)9-14/h16H,7-10H2,1-6H3,(H,15,17)
InChIKeyMNTZXGBVYTUARY-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 105468024
tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
CID 163332476
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
CID 105467938
tert-butyl N-[[2-(4-fluorophenyl)azetidin-2-yl]methyl]carbamate
CID 115059191
tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate
CID 84801666
tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
CID 84801669
tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen
CID 178159968
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
CID 118998436
tert-butyl N-[2-(3,3-dimethylpiperazin-1-yl)ethyl]carbamate
CID 155978007
tert-butyl N-[(5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)methyl]carbamate
CID 155895291
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-3-yl]acetic acid
CID 82379017
tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
CID 121388239

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate (CID 117274696) is tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate is CC1(CNC(=O)OC(C)(C)C)CCNC(C)(C)C1.
What is the InChIKey of tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate?
The InChIKey is MNTZXGBVYTUARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2,3)18-11(17)15-10-14(6)7-8-16-13(4,5)9-14/h16H,7-10H2,1-6H3,(H,15,17).
What are the key properties of tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 117274696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).