N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine

C11H18N2O — CID 777717

IUPACN-(furan-2-ylmethyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2ccco2)CC1
InChIInChI=1S/C11H18N2O/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11/h2-3,8,10,12H,4-7,9H2,1H3
InChIKeyZJRROMOOCRNAPK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.46
Rot. Bonds3

About N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine

N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine (PubChem CID 777717) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methylpiperidin-4-amine
PubChem CID777717
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(furan-2-ylmethyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2ccco2)CC1
InChIInChI=1S/C11H18N2O/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11/h2-3,8,10,12H,4-7,9H2,1H3
InChIKeyZJRROMOOCRNAPK-UHFFFAOYSA-N
XLogP1.46
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine (CID 777717) is N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine is CN1CCC(NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine?
The InChIKey is ZJRROMOOCRNAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11/h2-3,8,10,12H,4-7,9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine?
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine has a molecular weight of 194.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 777717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).