1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine

C32H33F3N4 — CID 59037198

IUPAC1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
SMILESCc1cc(-c2cc(CN3CCN(Cc4ccnc(-c5ccc(C(F)(F)F)cc5)c4)CC3)ccn2)cc(C)c1C
InChIInChI=1S/C32H33F3N4/c1-22-16-28(17-23(2)24(22)3)31-19-26(9-11-37-31)21-39-14-12-38(13-15-39)20-25-8-10-36-30(18-25)27-4-6-29(7-5-27)32(33,34)35/h4-11,16-19H,12-15,20-21H2,1-3H3
InChIKeySNTCTFLNIJBYFK-UHFFFAOYSA-N
MW530.64 g/mol
LogP7.07
Rot. Bonds6

About 1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine

1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine (PubChem CID 59037198) has the molecular formula C32H33F3N4 and a molecular weight of 530.64 g/mol. Its IUPAC name is 1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
PubChem CID59037198
Molecular FormulaC32H33F3N4
Molecular Weight530.64 g/mol
Exact Mass530.27
IUPAC Name1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
SMILESCc1cc(-c2cc(CN3CCN(Cc4ccnc(-c5ccc(C(F)(F)F)cc5)c4)CC3)ccn2)cc(C)c1C
InChIInChI=1S/C32H33F3N4/c1-22-16-28(17-23(2)24(22)3)31-19-26(9-11-37-31)21-39-14-12-38(13-15-39)20-25-8-10-36-30(18-25)27-4-6-29(7-5-27)32(33,34)35/h4-11,16-19H,12-15,20-21H2,1-3H3
InChIKeySNTCTFLNIJBYFK-UHFFFAOYSA-N
XLogP7.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.64
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine with MolForge

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Related Compounds

BC-1215
CID 72201045
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5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(3-fluoropyridin-2-yl)pyridazine
CID 11632351
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CID 11646630
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CID 503779
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CID 9996767
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443
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CID 73356736
3-(3,5-Difluoropyridin-2-yl)-5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]pyridazine
CID 11582101

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine?
The IUPAC name of 1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine (CID 59037198) is 1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine is Cc1cc(-c2cc(CN3CCN(Cc4ccnc(-c5ccc(C(F)(F)F)cc5)c4)CC3)ccn2)cc(C)c1C.
What is the InChIKey of 1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine?
The InChIKey is SNTCTFLNIJBYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N4/c1-22-16-28(17-23(2)24(22)3)31-19-26(9-11-37-31)21-39-14-12-38(13-15-39)20-25-8-10-36-30(18-25)27-4-6-29(7-5-27)32(33,34)35/h4-11,16-19H,12-15,20-21H2,1-3H3.
What are the key properties of 1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine?
1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine has a molecular weight of 530.64 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine is sourced from PubChem (CID 59037198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).