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

C14H16ClFN4 — CID 135146269

IUPAC5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride
SMILESCl.Fc1ccc(-c2cnc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C14H15FN4.ClH/c15-13-3-1-11(2-4-13)12-9-17-14(18-10-12)19-7-5-16-6-8-19;/h1-4,9-10,16H,5-8H2;1H
InChIKeyRUFPBVLARPJKBC-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.11
Rot. Bonds2

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

5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride (PubChem CID 135146269) has the molecular formula C14H16ClFN4 and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride
PubChem CID135146269
Molecular FormulaC14H16ClFN4
Molecular Weight294.76 g/mol
Exact Mass294.10
IUPAC Name5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride
SMILESCl.Fc1ccc(-c2cnc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C14H15FN4.ClH/c15-13-3-1-11(2-4-13)12-9-17-14(18-10-12)19-7-5-16-6-8-19;/h1-4,9-10,16H,5-8H2;1H
InChIKeyRUFPBVLARPJKBC-UHFFFAOYSA-N
XLogP2.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
5-(4-fluorophenyl)sulfanyl-2-piperazin-1-ylpyrimidine
CID 170986344
4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide
CID 135146176
5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride
CID 172813583
6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 66801974
5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
CID 157163231
ethane;(4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone
CID 155711023
5-[(3-fluorophenyl)methyl]-2-piperazin-1-ylpyrimidine
CID 117224214
5-[(3-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride
CID 172704463
2-(4-fluorophenyl)-2-(2-piperazin-1-ylpyrimidin-5-yl)propan-1-ol
CID 118022920
5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine
CID 116976344
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride?
The IUPAC name of 5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride (CID 135146269) is 5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride.
What is the SMILES notation for 5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride?
The canonical SMILES for 5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride is Cl.Fc1ccc(-c2cnc(N3CCNCC3)nc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride?
The InChIKey is RUFPBVLARPJKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4.ClH/c15-13-3-1-11(2-4-13)12-9-17-14(18-10-12)19-7-5-16-6-8-19;/h1-4,9-10,16H,5-8H2;1H.
What are the key properties of 5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride?
5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride has a molecular weight of 294.76 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride is sourced from PubChem (CID 135146269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).