1-pyrimidin-2-ylpiperidin-4-amine

C9H14N4 — CID 4778233

IUPAC1-pyrimidin-2-ylpiperidin-4-amine
SMILESNC1CCN(c2ncccn2)CC1
InChIInChI=1S/C9H14N4/c10-8-2-6-13(7-3-8)9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7,10H2
InChIKeyUSLXJAKPMUUGPV-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.40
Rot. Bonds1

About 1-pyrimidin-2-ylpiperidin-4-amine

1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 4778233) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID4778233
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-pyrimidin-2-ylpiperidin-4-amine
SMILESNC1CCN(c2ncccn2)CC1
InChIInChI=1S/C9H14N4/c10-8-2-6-13(7-3-8)9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7,10H2
InChIKeyUSLXJAKPMUUGPV-UHFFFAOYSA-N
XLogP0.40
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of 1-pyrimidin-2-ylpiperidin-4-amine (CID 4778233) is 1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for 1-pyrimidin-2-ylpiperidin-4-amine is NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is USLXJAKPMUUGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-8-2-6-13(7-3-8)9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7,10H2.
What are the key properties of 1-pyrimidin-2-ylpiperidin-4-amine?
1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 4778233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).