tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate

C16H32N2O2 — CID 50987936

IUPACtert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C(C)C)C1CCCNC1
InChIInChI=1S/C16H32N2O2/c1-7-18(15(19)20-16(4,5)6)14(12(2)3)13-9-8-10-17-11-13/h12-14,17H,7-11H2,1-6H3
InChIKeyRWDZSIBSJFLDKK-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.27
Rot. Bonds4

About tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate

tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate (PubChem CID 50987936) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate
PubChem CID50987936
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C(C)C)C1CCCNC1
InChIInChI=1S/C16H32N2O2/c1-7-18(15(19)20-16(4,5)6)14(12(2)3)13-9-8-10-17-11-13/h12-14,17H,7-11H2,1-6H3
InChIKeyRWDZSIBSJFLDKK-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate
CID 52911112
(2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoic acid
CID 146192524
tert-butyl N-ethyl-N-[2-(piperidin-3-ylmethylamino)ethyl]carbamate
CID 107245281
tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034
3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133061149
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119786203
tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate
CID 84711204
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
amino-[1-(azepan-3-yl)-2-methylpropyl]carbamic acid
CID 174716207

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate (CID 50987936) is tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate is CCN(C(=O)OC(C)(C)C)C(C(C)C)C1CCCNC1.
What is the InChIKey of tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate?
The InChIKey is RWDZSIBSJFLDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-18(15(19)20-16(4,5)6)14(12(2)3)13-9-8-10-17-11-13/h12-14,17H,7-11H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate?
tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate is sourced from PubChem (CID 50987936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).