3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol

C13H22N2O2 — CID 56728327

IUPAC3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol
SMILESCN1CCCC(O)(CN(C)Cc2ccco2)C1
InChIInChI=1S/C13H22N2O2/c1-14-7-4-6-13(16,10-14)11-15(2)9-12-5-3-8-17-12/h3,5,8,16H,4,6-7,9-11H2,1-2H3
InChIKeyMAKMUVKZIONCES-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.17
Rot. Bonds4

About 3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol

3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol (PubChem CID 56728327) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol
PubChem CID56728327
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol
SMILESCN1CCCC(O)(CN(C)Cc2ccco2)C1
InChIInChI=1S/C13H22N2O2/c1-14-7-4-6-13(16,10-14)11-15(2)9-12-5-3-8-17-12/h3,5,8,16H,4,6-7,9-11H2,1-2H3
InChIKeyMAKMUVKZIONCES-UHFFFAOYSA-N
XLogP1.17
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
3-[(dimethylamino)methyl]-1-methylpiperidin-3-ol
CID 84731989
(3R)-1-ethyl-3-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]piperidin-3-ol
CID 51984825
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 72879174
1-(furan-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]methanamine
CID 62258015
N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
CID 115873726
1-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 115758335
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 62392008
(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one
CID 95231035
N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62391822
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
2-[[furan-2-ylmethyl(methyl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide
CID 131663642

Frequently Asked Questions

What is the IUPAC name of 3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol?
The IUPAC name of 3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol (CID 56728327) is 3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol.
What is the SMILES notation for 3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol?
The canonical SMILES for 3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol is CN1CCCC(O)(CN(C)Cc2ccco2)C1.
What is the InChIKey of 3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol?
The InChIKey is MAKMUVKZIONCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14-7-4-6-13(16,10-14)11-15(2)9-12-5-3-8-17-12/h3,5,8,16H,4,6-7,9-11H2,1-2H3.
What are the key properties of 3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol?
3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol has a molecular weight of 238.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[furan-2-ylmethyl(methyl)amino]methyl]-1-methylpiperidin-3-ol is sourced from PubChem (CID 56728327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).