tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride

C15H25ClN2O3 — CID 75365791

IUPACtert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(NCc2ccco2)CC1.Cl
InChIInChI=1S/C15H24N2O3.ClH/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;1H
InChIKeyIWAVCAVHZXAOBM-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride

tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride (PubChem CID 75365791) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
PubChem CID75365791
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Nametert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(NCc2ccco2)CC1.Cl
InChIInChI=1S/C15H24N2O3.ClH/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;1H
InChIKeyIWAVCAVHZXAOBM-UHFFFAOYSA-N
XLogP3.19
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
tert-butyl 4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidine-1-carboxylate
CID 103699049
furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
CID 6989299
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
CID 43652164
tert-butyl 4-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 110934744
tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate
CID 75388151
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
CID 17053047
1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one
CID 115699429
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate
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CID 143006069

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride (CID 75365791) is tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC(NCc2ccco2)CC1.Cl.
What is the InChIKey of tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride?
The InChIKey is IWAVCAVHZXAOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/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;1H.
What are the key properties of tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride?
tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 75365791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).