1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol

C12H20N2O2 — CID 102956003

IUPAC1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(C(CN)c2ccco2)CC1O
InChIInChI=1S/C12H20N2O2/c1-9-4-5-14(8-11(9)15)10(7-13)12-3-2-6-16-12/h2-3,6,9-11,15H,4-5,7-8,13H2,1H3
InChIKeyVGGYOKQWUHIEJQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.98
Rot. Bonds3

About 1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol

1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol (PubChem CID 102956003) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol
PubChem CID102956003
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(C(CN)c2ccco2)CC1O
InChIInChI=1S/C12H20N2O2/c1-9-4-5-14(8-11(9)15)10(7-13)12-3-2-6-16-12/h2-3,6,9-11,15H,4-5,7-8,13H2,1H3
InChIKeyVGGYOKQWUHIEJQ-UHFFFAOYSA-N
XLogP0.98
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(furan-2-yl)ethyl]azetidin-3-ol
CID 131207499
[1-[2-amino-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 112624466
2-(furan-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530810
2-(3-tert-butylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine
CID 113416920
2-(3-ethylpiperidin-1-yl)-2-(furan-2-yl)ethanamine
CID 43584299
2-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 55050220
1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956112
1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956061
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(furan-2-yl)ethanamine
CID 79931766
2-[1-[2-amino-1-(furan-2-yl)ethyl]piperidin-4-yl]oxyethanol
CID 82696071
2-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)ethanamine
CID 43346331
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-3-methylpiperidin-4-ol
CID 114678005

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol (CID 102956003) is 1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol is CC1CCN(C(CN)c2ccco2)CC1O.
What is the InChIKey of 1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol?
The InChIKey is VGGYOKQWUHIEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-4-5-14(8-11(9)15)10(7-13)12-3-2-6-16-12/h2-3,6,9-11,15H,4-5,7-8,13H2,1H3.
What are the key properties of 1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol?
1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol has a molecular weight of 224.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102956003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).