furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium

C15H25N2O3+ — CID 6989299

IUPACfuran-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
SMILESCC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccco2)CC1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-8-6-12(7-9-17)16-11-13-5-4-10-19-13/h4-5,10,12,16H,6-9,11H2,1-3H3/p+1
InChIKeyFMYHQCQBDNMUDS-UHFFFAOYSA-O
MW281.38 g/mol
LogP1.74
Rot. Bonds3

About furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium

furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium (PubChem CID 6989299) has the molecular formula C15H25N2O3+ and a molecular weight of 281.38 g/mol. Its IUPAC name is furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
PubChem CID6989299
Molecular FormulaC15H25N2O3+
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Namefuran-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
SMILESCC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccco2)CC1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-8-6-12(7-9-17)16-11-13-5-4-10-19-13/h4-5,10,12,16H,6-9,11H2,1-3H3/p+1
InChIKeyFMYHQCQBDNMUDS-UHFFFAOYSA-O
XLogP1.74
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium with MolForge

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Related Compounds

tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
tert-butyl 4-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 110934744
tert-butyl 3-[2-(furan-2-yl)-1-(propylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092658
tert-butyl 4-[2-(furan-2-carbonylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 30797213
tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868546
trifluoro-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azaniumyl]methyl]boranuide
CID 102457603
tert-butyl 7-(furan-2-yl)-1,4-thiazepane-4-carboxylate
CID 90632266
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
tert-butyl 3-(furan-2-ylmethylamino)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate;hydroiodide
CID 75495051
tert-butyl 4-[3-(furan-2-yl)propanoyl]-3-methylpiperazine-1-carboxylate
CID 56785244
tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate
CID 75388151

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium?
The IUPAC name of furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium (CID 6989299) is furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium.
What is the SMILES notation for furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium?
The canonical SMILES for furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium is CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccco2)CC1.
What is the InChIKey of furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium?
The InChIKey is FMYHQCQBDNMUDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-8-6-12(7-9-17)16-11-13-5-4-10-19-13/h4-5,10,12,16H,6-9,11H2,1-3H3/p+1.
What are the key properties of furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium?
furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium has a molecular weight of 281.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium is sourced from PubChem (CID 6989299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).