1-(1-methylpyrazol-4-yl)piperidin-3-amine

C9H16N4 — CID 54593547

IUPAC1-(1-methylpyrazol-4-yl)piperidin-3-amine
SMILESCn1cc(N2CCCC(N)C2)cn1
InChIInChI=1S/C9H16N4/c1-12-7-9(5-11-12)13-4-2-3-8(10)6-13/h5,7-8H,2-4,6,10H2,1H3
InChIKeyZZHPYRMKQBXJDI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.35
Rot. Bonds1

About 1-(1-methylpyrazol-4-yl)piperidin-3-amine

1-(1-methylpyrazol-4-yl)piperidin-3-amine (PubChem CID 54593547) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)piperidin-3-amine
PubChem CID54593547
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-(1-methylpyrazol-4-yl)piperidin-3-amine
SMILESCn1cc(N2CCCC(N)C2)cn1
InChIInChI=1S/C9H16N4/c1-12-7-9(5-11-12)13-4-2-3-8(10)6-13/h5,7-8H,2-4,6,10H2,1H3
InChIKeyZZHPYRMKQBXJDI-UHFFFAOYSA-N
XLogP0.35
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)piperidin-3-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)piperidin-3-amine (CID 54593547) is 1-(1-methylpyrazol-4-yl)piperidin-3-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)piperidin-3-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)piperidin-3-amine is Cn1cc(N2CCCC(N)C2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)piperidin-3-amine?
The InChIKey is ZZHPYRMKQBXJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-7-9(5-11-12)13-4-2-3-8(10)6-13/h5,7-8H,2-4,6,10H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)piperidin-3-amine?
1-(1-methylpyrazol-4-yl)piperidin-3-amine has a molecular weight of 180.25 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)piperidin-3-amine is sourced from PubChem (CID 54593547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).