[3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine

C12H20N2O — CID 62438898

IUPAC[3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
SMILESCC1CCCN(Cc2ccoc2CN)C1
InChIInChI=1S/C12H20N2O/c1-10-3-2-5-14(8-10)9-11-4-6-15-12(11)7-13/h4,6,10H,2-3,5,7-9,13H2,1H3
InChIKeyUNKVTYRBDBVBCD-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.97
Rot. Bonds3

About [3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine

[3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine (PubChem CID 62438898) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
PubChem CID62438898
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
SMILESCC1CCCN(Cc2ccoc2CN)C1
InChIInChI=1S/C12H20N2O/c1-10-3-2-5-14(8-10)9-11-4-6-15-12(11)7-13/h4,6,10H,2-3,5,7-9,13H2,1H3
InChIKeyUNKVTYRBDBVBCD-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
CID 79170746
[5-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438530
2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477695
[3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 55158772
[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 107555522
[2-[(3-methoxypiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 102968055
N-[[3-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63626130
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
[3-(3-azaspiro[5.5]undecan-3-ylmethyl)furan-2-yl]methanamine
CID 62930470
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine
CID 79945485
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine (CID 62438898) is [3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine is CC1CCCN(Cc2ccoc2CN)C1.
What is the InChIKey of [3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
The InChIKey is UNKVTYRBDBVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-3-2-5-14(8-10)9-11-4-6-15-12(11)7-13/h4,6,10H,2-3,5,7-9,13H2,1H3.
What are the key properties of [3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine?
[3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine has a molecular weight of 208.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62438898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).