tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate

C13H26N2O2 — CID 84801669

IUPACtert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
SMILESCCC1(CNC(=O)OC(C)(C)C)CCCNC1
InChIInChI=1S/C13H26N2O2/c1-5-13(7-6-8-14-9-13)10-15-11(16)17-12(2,3)4/h14H,5-10H2,1-4H3,(H,15,16)
InChIKeyZSFLCUQNWLOSNO-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.29
Rot. Bonds3

About tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate

tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate (PubChem CID 84801669) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
PubChem CID84801669
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
SMILESCCC1(CNC(=O)OC(C)(C)C)CCCNC1
InChIInChI=1S/C13H26N2O2/c1-5-13(7-6-8-14-9-13)10-15-11(16)17-12(2,3)4/h14H,5-10H2,1-4H3,(H,15,16)
InChIKeyZSFLCUQNWLOSNO-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-3-yl]acetic acid
CID 82379017
tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
CID 84726051
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
CID 163332476
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
CID 103735451
tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
CID 119032070
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
N-[(3-ethylpiperidin-3-yl)methyl]propan-2-amine
CID 63133337
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
CID 118998436
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
CID 139401080
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
CID 121207999

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate (CID 84801669) is tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate is CCC1(CNC(=O)OC(C)(C)C)CCCNC1.
What is the InChIKey of tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate?
The InChIKey is ZSFLCUQNWLOSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-13(7-6-8-14-9-13)10-15-11(16)17-12(2,3)4/h14H,5-10H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate?
tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate is sourced from PubChem (CID 84801669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).