5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride

C9H15Cl2N3O — CID 75525003

IUPAC5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride
SMILESCl.Cl.O=c1ncc(C2CCNCC2)c[nH]1
InChIInChI=1S/C9H13N3O.2ClH/c13-9-11-5-8(6-12-9)7-1-3-10-4-2-7;;/h5-7,10H,1-4H2,(H,11,12,13);2*1H
InChIKeyVUVRRWIYXSNOKB-UHFFFAOYSA-N
MW252.14 g/mol
LogP1.08
Rot. Bonds1

About 5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride

5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride (PubChem CID 75525003) has the molecular formula C9H15Cl2N3O and a molecular weight of 252.14 g/mol. Its IUPAC name is 5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride.

Molecular Properties

Compound Name5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride
PubChem CID75525003
Molecular FormulaC9H15Cl2N3O
Molecular Weight252.14 g/mol
Exact Mass251.06
IUPAC Name5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride
SMILESCl.Cl.O=c1ncc(C2CCNCC2)c[nH]1
InChIInChI=1S/C9H13N3O.2ClH/c13-9-11-5-8(6-12-9)7-1-3-10-4-2-7;;/h5-7,10H,1-4H2,(H,11,12,13);2*1H
InChIKeyVUVRRWIYXSNOKB-UHFFFAOYSA-N
XLogP1.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride?
The IUPAC name of 5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride (CID 75525003) is 5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride.
What is the SMILES notation for 5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride?
The canonical SMILES for 5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride is Cl.Cl.O=c1ncc(C2CCNCC2)c[nH]1.
What is the InChIKey of 5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride?
The InChIKey is VUVRRWIYXSNOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.2ClH/c13-9-11-5-8(6-12-9)7-1-3-10-4-2-7;;/h5-7,10H,1-4H2,(H,11,12,13);2*1H.
What are the key properties of 5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride?
5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride has a molecular weight of 252.14 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-1H-pyrimidin-2-one;dihydrochloride is sourced from PubChem (CID 75525003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).