[1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine

C12H20N4O — CID 105498006

IUPAC[1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
SMILESCN1CCC(n2nc(CN)c3c2COC3)CC1
InChIInChI=1S/C12H20N4O/c1-15-4-2-9(3-5-15)16-12-8-17-7-10(12)11(6-13)14-16/h9H,2-8,13H2,1H3
InChIKeyIYCTVPSTRBBUBX-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.64
Rot. Bonds2

About [1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine

[1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine (PubChem CID 105498006) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
PubChem CID105498006
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
SMILESCN1CCC(n2nc(CN)c3c2COC3)CC1
InChIInChI=1S/C12H20N4O/c1-15-4-2-9(3-5-15)16-12-8-17-7-10(12)11(6-13)14-16/h9H,2-8,13H2,1H3
InChIKeyIYCTVPSTRBBUBX-UHFFFAOYSA-N
XLogP0.64
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
The IUPAC name of [1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine (CID 105498006) is [1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine is CN1CCC(n2nc(CN)c3c2COC3)CC1.
What is the InChIKey of [1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
The InChIKey is IYCTVPSTRBBUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-4-2-9(3-5-15)16-12-8-17-7-10(12)11(6-13)14-16/h9H,2-8,13H2,1H3.
What are the key properties of [1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine?
[1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpiperidin-4-yl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine is sourced from PubChem (CID 105498006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).