N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine

C16H28N2O — CID 79397893

IUPACN-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(C(C)Cc2ccco2)C(C)C1C
InChIInChI=1S/C16H28N2O/c1-5-17-16-8-9-18(14(4)13(16)3)12(2)11-15-7-6-10-19-15/h6-7,10,12-14,16-17H,5,8-9,11H2,1-4H3
InChIKeyZOILRENLUFVPIS-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.92
Rot. Bonds5

About N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine

N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine (PubChem CID 79397893) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine
PubChem CID79397893
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(C(C)Cc2ccco2)C(C)C1C
InChIInChI=1S/C16H28N2O/c1-5-17-16-8-9-18(14(4)13(16)3)12(2)11-15-7-6-10-19-15/h6-7,10,12-14,16-17H,5,8-9,11H2,1-4H3
InChIKeyZOILRENLUFVPIS-UHFFFAOYSA-N
XLogP2.92
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)propan-2-yl]-N,3-dimethylpiperidin-4-amine
CID 54975952
N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 79406765
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396947
N-ethyl-1-[1-(furan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 54975340
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine
CID 55180167
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpiperidine
CID 63256708
1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine
CID 63250602
1-[1-(furan-2-yl)propan-2-yl]azepane-2-carboxylic acid
CID 65069664
1-[2-(furan-2-yl)ethyl]-N,2,3-trimethylpiperidin-4-amine
CID 79398564
N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62557113
N-(furan-2-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 64908204
N,2,3-trimethyl-1-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 79396546

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine (CID 79397893) is N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine is CCNC1CCN(C(C)Cc2ccco2)C(C)C1C.
What is the InChIKey of N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine?
The InChIKey is ZOILRENLUFVPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-17-16-8-9-18(14(4)13(16)3)12(2)11-15-7-6-10-19-15/h6-7,10,12-14,16-17H,5,8-9,11H2,1-4H3.
What are the key properties of N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine?
N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine has a molecular weight of 264.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79397893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).