tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate

C17H32N2O3 — CID 104872140

IUPACtert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate
SMILESCOC1CC(NCC2(C)CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)22-15(20)19-8-6-7-17(4,12-19)11-18-13-9-14(10-13)21-5/h13-14,18H,6-12H2,1-5H3
InChIKeyXOGSETMCURSJTB-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.79
Rot. Bonds4

About tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate

tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate (PubChem CID 104872140) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate
PubChem CID104872140
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate
SMILESCOC1CC(NCC2(C)CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)22-15(20)19-8-6-7-17(4,12-19)11-18-13-9-14(10-13)21-5/h13-14,18H,6-12H2,1-5H3
InChIKeyXOGSETMCURSJTB-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 129395641
tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
CID 104860280
tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254658
tert-butyl 3-[(2,2-dimethoxyethylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254672
tert-butyl 3-[(3-aminopropylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254670
tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104530876
tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104530867
tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254596
tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate
CID 103949364
tert-butyl 3-[[(5-iodofuran-2-yl)methylamino]methyl]-3-methylpiperidine-1-carboxylate
CID 107254655
tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate
CID 97171663
1-O-tert-butyl 3-O-methyl (3S)-3-methylpiperidine-1,3-dicarboxylate
CID 86307189

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate (CID 104872140) is tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate is COC1CC(NCC2(C)CCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate?
The InChIKey is XOGSETMCURSJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-16(2,3)22-15(20)19-8-6-7-17(4,12-19)11-18-13-9-14(10-13)21-5/h13-14,18H,6-12H2,1-5H3.
What are the key properties of tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate?
tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 104872140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).