2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride

C14H17Cl2FN4 — CID 174610452

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
SMILESCl.Cl.Fc1ccccc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H15FN4.2ClH/c15-12-4-1-2-5-13(12)18-8-10-19(11-9-18)14-16-6-3-7-17-14;;/h1-7H,8-11H2;2*1H
InChIKeyKDYBCLOWTRJDPU-UHFFFAOYSA-N
MW331.22 g/mol
LogP2.79
Rot. Bonds2

About 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride

2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride (PubChem CID 174610452) has the molecular formula C14H17Cl2FN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
PubChem CID174610452
Molecular FormulaC14H17Cl2FN4
Molecular Weight331.22 g/mol
Exact Mass330.08
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
SMILESCl.Cl.Fc1ccccc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H15FN4.2ClH/c15-12-4-1-2-5-13(12)18-8-10-19(11-9-18)14-16-6-3-7-17-14;;/h1-7H,8-11H2;2*1H
InChIKeyKDYBCLOWTRJDPU-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 115978112
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109029805
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
CID 112884490
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 112884673
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 22334042
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole
CID 112898508
N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898527
2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
CID 52995833
N-[1-(2-fluorophenyl)piperidin-4-yl]pyrimidin-2-amine
CID 141014633
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 60673897
N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890826

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride (CID 174610452) is 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride is Cl.Cl.Fc1ccccc1N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride?
The InChIKey is KDYBCLOWTRJDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4.2ClH/c15-12-4-1-2-5-13(12)18-8-10-19(11-9-18)14-16-6-3-7-17-14;;/h1-7H,8-11H2;2*1H.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride?
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride has a molecular weight of 331.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride is sourced from PubChem (CID 174610452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).