N-(furan-3-yl)-1-methylpiperidin-3-amine

C10H16N2O — CID 163213114

IUPACN-(furan-3-yl)-1-methylpiperidin-3-amine
SMILESCN1CCCC(Nc2ccoc2)C1
InChIInChI=1S/C10H16N2O/c1-12-5-2-3-9(7-12)11-10-4-6-13-8-10/h4,6,8-9,11H,2-3,5,7H2,1H3
InChIKeyGPKLCIWEYMMNBM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.79
Rot. Bonds2

About N-(furan-3-yl)-1-methylpiperidin-3-amine

N-(furan-3-yl)-1-methylpiperidin-3-amine (PubChem CID 163213114) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(furan-3-yl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(furan-3-yl)-1-methylpiperidin-3-amine
PubChem CID163213114
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(furan-3-yl)-1-methylpiperidin-3-amine
SMILESCN1CCCC(Nc2ccoc2)C1
InChIInChI=1S/C10H16N2O/c1-12-5-2-3-9(7-12)11-10-4-6-13-8-10/h4,6,8-9,11H,2-3,5,7H2,1H3
InChIKeyGPKLCIWEYMMNBM-UHFFFAOYSA-N
XLogP1.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-yl)-1-methylpiperidin-3-amine?
The IUPAC name of N-(furan-3-yl)-1-methylpiperidin-3-amine (CID 163213114) is N-(furan-3-yl)-1-methylpiperidin-3-amine.
What is the SMILES notation for N-(furan-3-yl)-1-methylpiperidin-3-amine?
The canonical SMILES for N-(furan-3-yl)-1-methylpiperidin-3-amine is CN1CCCC(Nc2ccoc2)C1.
What is the InChIKey of N-(furan-3-yl)-1-methylpiperidin-3-amine?
The InChIKey is GPKLCIWEYMMNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-5-2-3-9(7-12)11-10-4-6-13-8-10/h4,6,8-9,11H,2-3,5,7H2,1H3.
What are the key properties of N-(furan-3-yl)-1-methylpiperidin-3-amine?
N-(furan-3-yl)-1-methylpiperidin-3-amine has a molecular weight of 180.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-yl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 163213114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).