[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone

C14H22N2O2 — CID 119517710

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC(C(C)N)CC2)o1
InChIInChI=1S/C14H22N2O2/c1-9-8-10(2)18-13(9)14(17)16-6-4-12(5-7-16)11(3)15/h8,11-12H,4-7,15H2,1-3H3
InChIKeyNYBFTXHLQNVGSM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.10
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone (PubChem CID 119517710) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone
PubChem CID119517710
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC(C(C)N)CC2)o1
InChIInChI=1S/C14H22N2O2/c1-9-8-10(2)18-13(9)14(17)16-6-4-12(5-7-16)11(3)15/h8,11-12H,4-7,15H2,1-3H3
InChIKeyNYBFTXHLQNVGSM-UHFFFAOYSA-N
XLogP2.10
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone
CID 119373769
(3,5-dimethylfuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560716
[2-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119435236
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 119518615
[4-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 119518888
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636
[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
(3,5-dimethylfuran-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119400963
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63596014
(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119378232
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromofuran-2-yl)methanone
CID 119519300
[4-(1-aminoethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119520867

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone (CID 119517710) is [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone is Cc1cc(C)c(C(=O)N2CCC(C(C)N)CC2)o1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone?
The InChIKey is NYBFTXHLQNVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-8-10(2)18-13(9)14(17)16-6-4-12(5-7-16)11(3)15/h8,11-12H,4-7,15H2,1-3H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethylfuran-2-yl)methanone is sourced from PubChem (CID 119517710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).