5-piperidin-4-ylpyrimidine;dihydrochloride

C9H15Cl2N3 — CID 91623829

IUPAC5-piperidin-4-ylpyrimidine;dihydrochloride
SMILESCl.Cl.c1ncc(C2CCNCC2)cn1
InChIInChI=1S/C9H13N3.2ClH/c1-3-10-4-2-8(1)9-5-11-7-12-6-9;;/h5-8,10H,1-4H2;2*1H
InChIKeyMPFOVGOVICIYEA-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.79
Rot. Bonds1

About 5-piperidin-4-ylpyrimidine;dihydrochloride

5-piperidin-4-ylpyrimidine;dihydrochloride (PubChem CID 91623829) has the molecular formula C9H15Cl2N3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 5-piperidin-4-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name5-piperidin-4-ylpyrimidine;dihydrochloride
PubChem CID91623829
Molecular FormulaC9H15Cl2N3
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name5-piperidin-4-ylpyrimidine;dihydrochloride
SMILESCl.Cl.c1ncc(C2CCNCC2)cn1
InChIInChI=1S/C9H13N3.2ClH/c1-3-10-4-2-8(1)9-5-11-7-12-6-9;;/h5-8,10H,1-4H2;2*1H
InChIKeyMPFOVGOVICIYEA-UHFFFAOYSA-N
XLogP1.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-ylpyrimidine;dihydrochloride?
The IUPAC name of 5-piperidin-4-ylpyrimidine;dihydrochloride (CID 91623829) is 5-piperidin-4-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 5-piperidin-4-ylpyrimidine;dihydrochloride?
The canonical SMILES for 5-piperidin-4-ylpyrimidine;dihydrochloride is Cl.Cl.c1ncc(C2CCNCC2)cn1.
What is the InChIKey of 5-piperidin-4-ylpyrimidine;dihydrochloride?
The InChIKey is MPFOVGOVICIYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.2ClH/c1-3-10-4-2-8(1)9-5-11-7-12-6-9;;/h5-8,10H,1-4H2;2*1H.
What are the key properties of 5-piperidin-4-ylpyrimidine;dihydrochloride?
5-piperidin-4-ylpyrimidine;dihydrochloride has a molecular weight of 236.15 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 91623829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).