tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate

C18H36N2O2 — CID 107254611

IUPACtert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate
SMILESCCC(CC)CNCC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O2/c1-7-15(8-2)13-19-14-18(6)9-11-20(12-10-18)16(21)22-17(3,4)5/h15,19H,7-14H2,1-6H3
InChIKeyZKOLUTPPEHRXCW-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.05
Rot. Bonds6

About tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate (PubChem CID 107254611) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate
PubChem CID107254611
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate
SMILESCCC(CC)CNCC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O2/c1-7-15(8-2)13-19-14-18(6)9-11-20(12-10-18)16(21)22-17(3,4)5/h15,19H,7-14H2,1-6H3
InChIKeyZKOLUTPPEHRXCW-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107442987
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 4-methyl-4-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 104537832
tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254572
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
CID 104860280
tert-butyl 4-hydroxy-4-[(2-methylpropylamino)methyl]piperidine-1-carboxylate
CID 54250356
tert-butyl 4-[3-(2-ethylbutylamino)propyl]piperazine-1-carboxylate
CID 107243487
tert-butyl 3-[(2,2-dimethoxyethylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254672
tert-butyl 4-[[(1-methylcyclopentyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730249
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate (CID 107254611) is tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate is CCC(CC)CNCC1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate?
The InChIKey is ZKOLUTPPEHRXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-7-15(8-2)13-19-14-18(6)9-11-20(12-10-18)16(21)22-17(3,4)5/h15,19H,7-14H2,1-6H3.
What are the key properties of tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate has a molecular weight of 312.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 107254611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).