N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine

C13H22N2O — CID 16768485

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESCc1ccc(CN(C)CC2CCNCC2)o1
InChIInChI=1S/C13H22N2O/c1-11-3-4-13(16-11)10-15(2)9-12-5-7-14-8-6-12/h3-4,12,14H,5-10H2,1-2H3
InChIKeySXKMMNVQQMMWPP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.02
Rot. Bonds4

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 16768485) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID16768485
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESCc1ccc(CN(C)CC2CCNCC2)o1
InChIInChI=1S/C13H22N2O/c1-11-3-4-13(16-11)10-15(2)9-12-5-7-14-8-6-12/h3-4,12,14H,5-10H2,1-2H3
InChIKeySXKMMNVQQMMWPP-UHFFFAOYSA-N
XLogP2.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 66009251
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707515
N-[(5-ethylthiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79708057
N-methyl-1-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-2-yl]methanamine
CID 62422461
4-ethyl-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62615573
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 56700615
[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929706
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79716770
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 80551355

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine (CID 16768485) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine is Cc1ccc(CN(C)CC2CCNCC2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is SXKMMNVQQMMWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-3-4-13(16-11)10-15(2)9-12-5-7-14-8-6-12/h3-4,12,14H,5-10H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 16768485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).