[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine

C13H22N2O — CID 71778080

IUPAC[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine
SMILESCc1cc(CN2CCC(CN)CC2)c(C)o1
InChIInChI=1S/C13H22N2O/c1-10-7-13(11(2)16-10)9-15-5-3-12(8-14)4-6-15/h7,12H,3-6,8-9,14H2,1-2H3
InChIKeySGDBYKQHXJZWTI-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.07
Rot. Bonds3

About [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine

[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine (PubChem CID 71778080) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine
PubChem CID71778080
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine
SMILESCc1cc(CN2CCC(CN)CC2)c(C)o1
InChIInChI=1S/C13H22N2O/c1-10-7-13(11(2)16-10)9-15-5-3-12(8-14)4-6-15/h7,12H,3-6,8-9,14H2,1-2H3
InChIKeySGDBYKQHXJZWTI-UHFFFAOYSA-N
XLogP2.07
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-Dimethylfuran-3-yl)methanamine
CID 2776162
(2,5-Dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4573434
1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperidine-3-carboxamide
CID 6223967
N-[(2,5-dimethyl-3-furyl)methyl]-N-hydroxyurea
CID 10726150
Cyclafuramid
CID 93178
N-[2-(1-cyclohexen-1-yl)ethyl]-2,5-dimethyl-3-furamide
CID 2712666
1-[4-(2,5-Dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 17148782
1-(2,5-Dimethylfuran-3-carbonyl)piperidine-4-carboxamide
CID 33809481
Ammonium, benzyldimethyl(2-(5-methyl-2-furyl)ethyl)-, iodide
CID 38128
2-Furanethylamine, N-benzyl-N,2-dimethyl-, hydrochloride
CID 3063929
1-(2,5-Dimethylfuran-3-yl)ethan-1-amine
CID 16768211

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine (CID 71778080) is [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine is Cc1cc(CN2CCC(CN)CC2)c(C)o1.
What is the InChIKey of [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine?
The InChIKey is SGDBYKQHXJZWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-7-13(11(2)16-10)9-15-5-3-12(8-14)4-6-15/h7,12H,3-6,8-9,14H2,1-2H3.
What are the key properties of [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine?
[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine has a molecular weight of 222.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 71778080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).