5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine

C22H23FN4 — CID 56909083

IUPAC5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine
SMILESFc1cccc(CN2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)c1
InChIInChI=1S/C22H23FN4/c23-21-8-4-5-18(13-21)16-26-9-11-27(12-10-26)17-19-14-24-22(25-15-19)20-6-2-1-3-7-20/h1-8,13-15H,9-12,16-17H2
InChIKeyFXUOQRRJLMUCBL-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.60
Rot. Bonds5

About 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine

5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine (PubChem CID 56909083) has the molecular formula C22H23FN4 and a molecular weight of 362.45 g/mol. Its IUPAC name is 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine
PubChem CID56909083
Molecular FormulaC22H23FN4
Molecular Weight362.45 g/mol
Exact Mass362.19
IUPAC Name5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine
SMILESFc1cccc(CN2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)c1
InChIInChI=1S/C22H23FN4/c23-21-8-4-5-18(13-21)16-26-9-11-27(12-10-26)17-19-14-24-22(25-15-19)20-6-2-1-3-7-20/h1-8,13-15H,9-12,16-17H2
InChIKeyFXUOQRRJLMUCBL-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56900861
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 163326429
2-chloro-1-[4-[(2-phenylpyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 154856877
2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 112769518
1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
CID 138041794
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 174565375
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridine
CID 24734722

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine?
The IUPAC name of 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine (CID 56909083) is 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine.
What is the SMILES notation for 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine?
The canonical SMILES for 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine is Fc1cccc(CN2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)c1.
What is the InChIKey of 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine?
The InChIKey is FXUOQRRJLMUCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4/c23-21-8-4-5-18(13-21)16-26-9-11-27(12-10-26)17-19-14-24-22(25-15-19)20-6-2-1-3-7-20/h1-8,13-15H,9-12,16-17H2.
What are the key properties of 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine?
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine has a molecular weight of 362.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine is sourced from PubChem (CID 56909083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).