[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine

C12H20N2O — CID 62438530

IUPAC[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
SMILESCC1CCCN(Cc2ccc(CN)o2)C1
InChIInChI=1S/C12H20N2O/c1-10-3-2-6-14(8-10)9-12-5-4-11(7-13)15-12/h4-5,10H,2-3,6-9,13H2,1H3
InChIKeyFCDYJTPOSZFOEK-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.97
Rot. Bonds3

About [5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine

[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine (PubChem CID 62438530) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
PubChem CID62438530
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
SMILESCC1CCCN(Cc2ccc(CN)o2)C1
InChIInChI=1S/C12H20N2O/c1-10-3-2-6-14(8-10)9-12-5-4-11(7-13)15-12/h4-5,10H,2-3,6-9,13H2,1H3
InChIKeyFCDYJTPOSZFOEK-UHFFFAOYSA-N
XLogP1.97
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 107555522
[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 63167064
[3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438898
[5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882309
1-[[5-(aminomethyl)furan-2-yl]methyl]piperidin-4-ol
CID 82508099
[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62439493
[5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62429634
(9aS)-2-[(5-ethylfuran-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 77093175
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
1-benzyl-3-methylpiperidine
CID 2794856
2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477695

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine (CID 62438530) is [5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine is CC1CCCN(Cc2ccc(CN)o2)C1.
What is the InChIKey of [5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
The InChIKey is FCDYJTPOSZFOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-3-2-6-14(8-10)9-12-5-4-11(7-13)15-12/h4-5,10H,2-3,6-9,13H2,1H3.
What are the key properties of [5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine has a molecular weight of 208.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62438530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).