5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine

C23H21F4N3 — CID 141285088

IUPAC5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine
SMILESFc1cnc(-c2ccc(CN3CCC(c4cccc(C(F)(F)F)c4)CC3)cc2)nc1
InChIInChI=1S/C23H21F4N3/c24-21-13-28-22(29-14-21)18-6-4-16(5-7-18)15-30-10-8-17(9-11-30)19-2-1-3-20(12-19)23(25,26)27/h1-7,12-14,17H,8-11,15H2
InChIKeyANRZBIRXGJPZRO-UHFFFAOYSA-N
MW415.43 g/mol
LogP5.68
Rot. Bonds4

About 5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine

5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine (PubChem CID 141285088) has the molecular formula C23H21F4N3 and a molecular weight of 415.43 g/mol. Its IUPAC name is 5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine
PubChem CID141285088
Molecular FormulaC23H21F4N3
Molecular Weight415.43 g/mol
Exact Mass415.17
IUPAC Name5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine
SMILESFc1cnc(-c2ccc(CN3CCC(c4cccc(C(F)(F)F)c4)CC3)cc2)nc1
InChIInChI=1S/C23H21F4N3/c24-21-13-28-22(29-14-21)18-6-4-16(5-7-18)15-30-10-8-17(9-11-30)19-2-1-3-20(12-19)23(25,26)27/h1-7,12-14,17H,8-11,15H2
InChIKeyANRZBIRXGJPZRO-UHFFFAOYSA-N
XLogP5.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.43
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazine;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidine;ethane
CID 145233724
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine
CID 95819638
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 3049036
2-(4-fluorophenyl)-5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3,4-oxadiazole
CID 121073608
4-(3-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine
CID 143844353
N-hydroxy-4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
CID 122584731
1-[(3-fluorophenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 1485743
5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 146135039
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]benzoic acid
CID 122033759

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine (CID 141285088) is 5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine is Fc1cnc(-c2ccc(CN3CCC(c4cccc(C(F)(F)F)c4)CC3)cc2)nc1.
What is the InChIKey of 5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine?
The InChIKey is ANRZBIRXGJPZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N3/c24-21-13-28-22(29-14-21)18-6-4-16(5-7-18)15-30-10-8-17(9-11-30)19-2-1-3-20(12-19)23(25,26)27/h1-7,12-14,17H,8-11,15H2.
What are the key properties of 5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine?
5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine has a molecular weight of 415.43 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine is sourced from PubChem (CID 141285088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).