2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride

C10H14Cl2N4 — CID 155821054

IUPAC2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C10H12N4.2ClH/c11-5-8-6-13-10(14-7-8)9-1-3-12-4-2-9;;/h6-7,9,12H,1-4H2;2*1H
InChIKeyOEEJDNRBMDLYTI-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.66
Rot. Bonds1

About 2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride

2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride (PubChem CID 155821054) has the molecular formula C10H14Cl2N4 and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride
PubChem CID155821054
Molecular FormulaC10H14Cl2N4
Molecular Weight261.16 g/mol
Exact Mass260.06
IUPAC Name2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C10H12N4.2ClH/c11-5-8-6-13-10(14-7-8)9-1-3-12-4-2-9;;/h6-7,9,12H,1-4H2;2*1H
InChIKeyOEEJDNRBMDLYTI-UHFFFAOYSA-N
XLogP1.66
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride?
The IUPAC name of 2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride (CID 155821054) is 2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride.
What is the SMILES notation for 2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride?
The canonical SMILES for 2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride is Cl.Cl.N#Cc1cnc(C2CCNCC2)nc1.
What is the InChIKey of 2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride?
The InChIKey is OEEJDNRBMDLYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.2ClH/c11-5-8-6-13-10(14-7-8)9-1-3-12-4-2-9;;/h6-7,9,12H,1-4H2;2*1H.
What are the key properties of 2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride?
2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride has a molecular weight of 261.16 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpyrimidine-5-carbonitrile;dihydrochloride is sourced from PubChem (CID 155821054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).