[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine

C12H20N2O — CID 103440378

IUPAC[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(Cc2ccco2)C(CN)C1
InChIInChI=1S/C12H20N2O/c1-10-4-5-14(11(7-10)8-13)9-12-3-2-6-15-12/h2-3,6,10-11H,4-5,7-9,13H2,1H3
InChIKeyLNSYHACZERQWTD-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.84
Rot. Bonds3

About [1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine

[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine (PubChem CID 103440378) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
PubChem CID103440378
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(Cc2ccco2)C(CN)C1
InChIInChI=1S/C12H20N2O/c1-10-4-5-14(11(7-10)8-13)9-12-3-2-6-15-12/h2-3,6,10-11H,4-5,7-9,13H2,1H3
InChIKeyLNSYHACZERQWTD-UHFFFAOYSA-N
XLogP1.84
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanamine
CID 94011431
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-5-hydroxypyran-4-one
CID 103442139
[4-methyl-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanamine
CID 103440446
[4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine
CID 103440529
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
2-ethyl-1-(furan-2-ylmethyl)piperazine
CID 64938246
1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile
CID 117022408
[4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine
CID 103440531
[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440770

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine (CID 103440378) is [1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine is CC1CCN(Cc2ccco2)C(CN)C1.
What is the InChIKey of [1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine?
The InChIKey is LNSYHACZERQWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-4-5-14(11(7-10)8-13)9-12-3-2-6-15-12/h2-3,6,10-11H,4-5,7-9,13H2,1H3.
What are the key properties of [1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine?
[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine has a molecular weight of 208.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103440378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).