[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone

C13H20N2O2 — CID 114821986

IUPAC[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(CN)CCC2C)co1
InChIInChI=1S/C13H20N2O2/c1-9-3-4-11(6-14)7-15(9)13(16)12-5-10(2)17-8-12/h5,8-9,11H,3-4,6-7,14H2,1-2H3
InChIKeyLJFXVCXESXNCNU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.79
Rot. Bonds2

About [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone

[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone (PubChem CID 114821986) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone
PubChem CID114821986
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(CN)CCC2C)co1
InChIInChI=1S/C13H20N2O2/c1-9-3-4-11(6-14)7-15(9)13(16)12-5-10(2)17-8-12/h5,8-9,11H,3-4,6-7,14H2,1-2H3
InChIKeyLJFXVCXESXNCNU-UHFFFAOYSA-N
XLogP1.79
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107728737
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830805
1-[(2S,5S)-5-(aminomethyl)-2-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 174081766
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 65462246
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 102737812
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120809
(5-ethyl-2-methylpiperidin-1-yl)-phenylmethanone
CID 154089606
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114821788
[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 126769437
tert-butyl 3-(aminomethyl)-4-(5-methylfuran-3-carbonyl)piperazine-1-carboxylate
CID 104978889
[5-(aminomethyl)-2-methylpiperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114610349
benzyl (2R,5S)-5-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 124523421

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone?
The IUPAC name of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone (CID 114821986) is [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone?
The canonical SMILES for [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)N2CC(CN)CCC2C)co1.
What is the InChIKey of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone?
The InChIKey is LJFXVCXESXNCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-3-4-11(6-14)7-15(9)13(16)12-5-10(2)17-8-12/h5,8-9,11H,3-4,6-7,14H2,1-2H3.
What are the key properties of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone?
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone has a molecular weight of 236.31 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 [5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114821986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).