1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine

C13H22N2O2 — CID 62420012

IUPAC1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1CN1CCC(OC)CC1
InChIInChI=1S/C13H22N2O2/c1-14-9-13-11(5-8-17-13)10-15-6-3-12(16-2)4-7-15/h5,8,12,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyQAFDHKGFIIARFX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds5

About 1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine

1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine (PubChem CID 62420012) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
PubChem CID62420012
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1CN1CCC(OC)CC1
InChIInChI=1S/C13H22N2O2/c1-14-9-13-11(5-8-17-13)10-15-6-3-12(16-2)4-7-15/h5,8,12,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyQAFDHKGFIIARFX-UHFFFAOYSA-N
XLogP1.61
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413262
1-[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 103540001
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 115562260
1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62420766
1-[4-[(4-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62421339
[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 103539631
N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438856
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
CID 63978913
1-[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413521
N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 103503329
N-[[3-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63626130
1-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 63193354

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine (CID 62420012) is 1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine is CNCc1occc1CN1CCC(OC)CC1.
What is the InChIKey of 1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is QAFDHKGFIIARFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14-9-13-11(5-8-17-13)10-15-6-3-12(16-2)4-7-15/h5,8,12,14H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine?
1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62420012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).