tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate

C16H26N2O3 — CID 104954244

IUPACtert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate
SMILESCC1C(NCc2ccoc2)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-12-14(17-10-13-7-9-20-11-13)6-5-8-18(12)15(19)21-16(2,3)4/h7,9,11-12,14,17H,5-6,8,10H2,1-4H3
InChIKeyHOADWVQTUXRBEO-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.16
Rot. Bonds3

About tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate

tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate (PubChem CID 104954244) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate
PubChem CID104954244
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate
SMILESCC1C(NCc2ccoc2)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-12-14(17-10-13-7-9-20-11-13)6-5-8-18(12)15(19)21-16(2,3)4/h7,9,11-12,14,17H,5-6,8,10H2,1-4H3
InChIKeyHOADWVQTUXRBEO-UHFFFAOYSA-N
XLogP3.16
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(5-chlorothiophen-2-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107256677
tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate
CID 104955747
tert-butyl 2-methyl-3-[(3-methylthiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 107256627
tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 129400144
tert-butyl 2-methyl-3-[(5-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 104954209
tert-butyl 2-methyl-3-(1,3-thiazol-2-ylmethylamino)piperidine-1-carboxylate
CID 104954266
tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107256757
tert-butyl 3-(2-ethylbutylamino)-2-methylpiperidine-1-carboxylate
CID 107256768
tert-butyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 104954264
tert-butyl 3-(2-cyclohexylethylamino)-2-methylpiperidine-1-carboxylate
CID 107256759
tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716
tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate
CID 107256769

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate (CID 104954244) is tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate is CC1C(NCc2ccoc2)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate?
The InChIKey is HOADWVQTUXRBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12-14(17-10-13-7-9-20-11-13)6-5-8-18(12)15(19)21-16(2,3)4/h7,9,11-12,14,17H,5-6,8,10H2,1-4H3.
What are the key properties of tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate?
tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 104954244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).