tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate

C16H30N2O2 — CID 103949341

IUPACtert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate
SMILESCCC1(CNC2CCCN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-5-16(8-9-16)12-17-13-7-6-10-18(11-13)14(19)20-15(2,3)4/h13,17H,5-12H2,1-4H3
InChIKeyCLUHYENBWBFGBJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.17
Rot. Bonds4

About tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate

tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate (PubChem CID 103949341) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate
PubChem CID103949341
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate
SMILESCCC1(CNC2CCCN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-5-16(8-9-16)12-17-13-7-6-10-18(11-13)14(19)20-15(2,3)4/h13,17H,5-12H2,1-4H3
InChIKeyCLUHYENBWBFGBJ-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate
CID 103949364
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl 4-ethyl-4-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]methyl]piperidine-1-carboxylate
CID 114280547
tert-butyl (3R)-3-(prop-2-ynylamino)azepane-1-carboxylate
CID 164579162
tert-butyl 3-(4-hydroxybutylamino)piperidine-1-carboxylate
CID 106840867
tert-butyl 3-(2-ethylbutylamino)azepane-1-carboxylate
CID 107249438
tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
CID 75994051
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299
tert-butyl (3R)-3-(pentylamino)azepane-1-carboxylate
CID 164579167
tert-butyl 3-(2-carbamoyloxyethylamino)piperidine-1-carboxylate
CID 83211355

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate (CID 103949341) is tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate is CCC1(CNC2CCCN(C(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate?
The InChIKey is CLUHYENBWBFGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-16(8-9-16)12-17-13-7-6-10-18(11-13)14(19)20-15(2,3)4/h13,17H,5-12H2,1-4H3.
What are the key properties of tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate?
tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103949341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).