1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine

C15H26N2O — CID 62431060

IUPAC1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CCC(C)CC2C)c(C)o1
InChIInChI=1S/C15H26N2O/c1-11-5-6-17(12(2)7-11)10-14-8-15(9-16-4)18-13(14)3/h8,11-12,16H,5-7,9-10H2,1-4H3
InChIKeyUTVHSFPYEZAAFO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.93
Rot. Bonds4

About 1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine

1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine (PubChem CID 62431060) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
PubChem CID62431060
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CCC(C)CC2C)c(C)o1
InChIInChI=1S/C15H26N2O/c1-11-5-6-17(12(2)7-11)10-14-8-15(9-16-4)18-13(14)3/h8,11-12,16H,5-7,9-10H2,1-4H3
InChIKeyUTVHSFPYEZAAFO-UHFFFAOYSA-N
XLogP2.93
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 55073687
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62431233
N-[[5-[(2,4-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62431577
1-[4-[(4-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62421339
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412465
N-methyl-1-[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62419048
N-methyl-1-[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62775548
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-methylfuran-2-yl]-N-methylmethanamine
CID 79946048
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62427660
[5-[(2,4-dimethylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62429634
1-[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 79183372
N-methyl-1-[2-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]furan-3-yl]methanamine
CID 79945685

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine (CID 62431060) is 1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine is CNCc1cc(CN2CCC(C)CC2C)c(C)o1.
What is the InChIKey of 1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The InChIKey is UTVHSFPYEZAAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-5-6-17(12(2)7-11)10-14-8-15(9-16-4)18-13(14)3/h8,11-12,16H,5-7,9-10H2,1-4H3.
What are the key properties of 1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62431060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).