5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride

C15H18ClFN4O — CID 172813583

IUPAC5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride
SMILESCl.Fc1ccc(COc2cnc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C15H17FN4O.ClH/c16-13-3-1-12(2-4-13)11-21-14-9-18-15(19-10-14)20-7-5-17-6-8-20;/h1-4,9-10,17H,5-8,11H2;1H
InChIKeySNAKWYPEVHWQBW-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.03
Rot. Bonds4

About 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride

5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride (PubChem CID 172813583) has the molecular formula C15H18ClFN4O and a molecular weight of 324.79 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride
PubChem CID172813583
Molecular FormulaC15H18ClFN4O
Molecular Weight324.79 g/mol
Exact Mass324.12
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride
SMILESCl.Fc1ccc(COc2cnc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C15H17FN4O.ClH/c16-13-3-1-12(2-4-13)11-21-14-9-18-15(19-10-14)20-7-5-17-6-8-20;/h1-4,9-10,17H,5-8,11H2;1H
InChIKeySNAKWYPEVHWQBW-UHFFFAOYSA-N
XLogP2.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride (CID 172813583) is 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride is Cl.Fc1ccc(COc2cnc(N3CCNCC3)nc2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride?
The InChIKey is SNAKWYPEVHWQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O.ClH/c16-13-3-1-12(2-4-13)11-21-14-9-18-15(19-10-14)20-7-5-17-6-8-20;/h1-4,9-10,17H,5-8,11H2;1H.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride?
5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride has a molecular weight of 324.79 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride is sourced from PubChem (CID 172813583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).