[5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine

C13H22N2O — CID 62429634

IUPAC[5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine
SMILESCC1CCN(Cc2ccc(CN)o2)C(C)C1
InChIInChI=1S/C13H22N2O/c1-10-5-6-15(11(2)7-10)9-13-4-3-12(8-14)16-13/h3-4,10-11H,5-9,14H2,1-2H3
InChIKeyNQPKOEHWWUUCGV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.36
Rot. Bonds3

About [5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine

[5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine (PubChem CID 62429634) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine
PubChem CID62429634
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine
SMILESCC1CCN(Cc2ccc(CN)o2)C(C)C1
InChIInChI=1S/C13H22N2O/c1-10-5-6-15(11(2)7-10)9-13-4-3-12(8-14)16-13/h3-4,10-11H,5-9,14H2,1-2H3
InChIKeyNQPKOEHWWUUCGV-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine
CID 82750611
1-[(5-bromofuran-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115311896
[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438530
4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline
CID 79582479
[4-[(2,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888056
2-[(2,4-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 62332325
[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438410
2-[(2,4-dimethylpiperidin-1-yl)methyl]pyridin-3-amine
CID 104740020
[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 83219044
2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-nitroaniline
CID 62332198
5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62892563
[5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882863

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine (CID 62429634) is [5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine is CC1CCN(Cc2ccc(CN)o2)C(C)C1.
What is the InChIKey of [5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
The InChIKey is NQPKOEHWWUUCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-5-6-15(11(2)7-10)9-13-4-3-12(8-14)16-13/h3-4,10-11H,5-9,14H2,1-2H3.
What are the key properties of [5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
[5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine has a molecular weight of 222.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62429634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).