1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine

C13H22N4O2 — CID 90103210

IUPAC1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1C1CCN(CC2OCCO2)CC1
InChIInChI=1S/C13H22N4O2/c1-10-12(14)8-15-17(10)11-2-4-16(5-3-11)9-13-18-6-7-19-13/h8,11,13H,2-7,9,14H2,1H3
InChIKeyUILIAIWFBCWRFX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.78
Rot. Bonds3

About 1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine

1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine (PubChem CID 90103210) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
PubChem CID90103210
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1C1CCN(CC2OCCO2)CC1
InChIInChI=1S/C13H22N4O2/c1-10-12(14)8-15-17(10)11-2-4-16(5-3-11)9-13-18-6-7-19-13/h8,11,13H,2-7,9,14H2,1H3
InChIKeyUILIAIWFBCWRFX-UHFFFAOYSA-N
XLogP0.78
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine (CID 90103210) is 1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine is Cc1c(N)cnn1C1CCN(CC2OCCO2)CC1.
What is the InChIKey of 1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The InChIKey is UILIAIWFBCWRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-12(14)8-15-17(10)11-2-4-16(5-3-11)9-13-18-6-7-19-13/h8,11,13H,2-7,9,14H2,1H3.
What are the key properties of 1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine?
1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine has a molecular weight of 266.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 90103210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).