tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate

C16H32N2O2 — CID 78918218

IUPACtert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCCC(C)(C)NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-7-16(5,6)17-12-13-8-10-18(11-9-13)14(19)20-15(2,3)4/h13,17H,7-12H2,1-6H3
InChIKeyPJEPFHZCFXHESK-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.41
Rot. Bonds4

About tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate

tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 78918218) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate
PubChem CID78918218
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCCC(C)(C)NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-7-16(5,6)17-12-13-8-10-18(11-9-13)14(19)20-15(2,3)4/h13,17H,7-12H2,1-6H3
InChIKeyPJEPFHZCFXHESK-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 79699892
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[[2-(tert-butylamino)ethylamino]methyl]piperidine-1-carboxylate
CID 107446306
tert-butyl 4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79699650
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-[(pentylamino)methyl]piperidine-1-carboxylate
CID 79697806
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 11701760
tert-butyl 4-[2-(ethylamino)ethyl]piperidine-1-carboxylate
CID 71635409
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 172898653

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate (CID 78918218) is tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate is CCC(C)(C)NCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is PJEPFHZCFXHESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-16(5,6)17-12-13-8-10-18(11-9-13)14(19)20-15(2,3)4/h13,17H,7-12H2,1-6H3.
What are the key properties of tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 78918218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).