1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine

C49H48F6N4 — CID 158531265

IUPAC1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1.FC(F)(F)c1ccccc1-c1ccc(CN2CCNC(c3ccccc3)C2)cc1
InChIInChI=1S/C25H25F3N2.C24H23F3N2/c1-29-15-16-30(18-24(29)21-7-3-2-4-8-21)17-19-11-13-20(14-12-19)22-9-5-6-10-23(22)25(26,27)28;25-24(26,27)22-9-5-4-8-21(22)19-12-10-18(11-13-19)16-29-15-14-28-23(17-29)20-6-2-1-3-7-20/h2-14,24H,15-18H2,1H3;1-13,23,28H,14-17H2
InChIKeyHNKALTMHTFLMMJ-UHFFFAOYSA-N
MW806.94 g/mol
LogP11.38
Rot. Bonds8

About 1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine

1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine (PubChem CID 158531265) has the molecular formula C49H48F6N4 and a molecular weight of 806.94 g/mol. Its IUPAC name is 1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
PubChem CID158531265
Molecular FormulaC49H48F6N4
Molecular Weight806.94 g/mol
Exact Mass806.38
IUPAC Name1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1.FC(F)(F)c1ccccc1-c1ccc(CN2CCNC(c3ccccc3)C2)cc1
InChIInChI=1S/C25H25F3N2.C24H23F3N2/c1-29-15-16-30(18-24(29)21-7-3-2-4-8-21)17-19-11-13-20(14-12-19)22-9-5-6-10-23(22)25(26,27)28;25-24(26,27)22-9-5-4-8-21(22)19-12-10-18(11-13-19)16-29-15-14-28-23(17-29)20-6-2-1-3-7-20/h2-14,24H,15-18H2,1H3;1-13,23,28H,14-17H2
InChIKeyHNKALTMHTFLMMJ-UHFFFAOYSA-N
XLogP11.38
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.94
LogP ≤ 511.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
CID 159313660
2-chloro-5-[(3-phenylpiperazin-1-yl)methyl]pyrimidine;5-[(3-phenylpiperazin-1-yl)methyl]-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 158539317
N,N-diethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide
CID 69150558
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]acetate;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
CID 159363234
2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,4-thiazinane 1-oxide
CID 69057203
(3R)-3-benzyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;[(2R)-2-benzyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone
CID 160679268
(4-bromophenyl)-(3-phenylpiperazin-1-yl)methanone;(3-phenylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone
CID 159069067
(2S)-4-[(4-bromophenyl)methyl]-2-phenylmorpholine;(2S)-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]morpholine;[2-(trifluoromethyl)phenyl]boronic acid
CID 159211932
1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine
CID 102862405
4-(4-benzylpiperazin-2-yl)benzaldehyde
CID 166460961
2-[(2S)-2-benzyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-2-phenylacetaldehyde
CID 87707703

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine (CID 158531265) is 1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine is CN1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1.FC(F)(F)c1ccccc1-c1ccc(CN2CCNC(c3ccccc3)C2)cc1.
What is the InChIKey of 1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
The InChIKey is HNKALTMHTFLMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2.C24H23F3N2/c1-29-15-16-30(18-24(29)21-7-3-2-4-8-21)17-19-11-13-20(14-12-19)22-9-5-6-10-23(22)25(26,27)28;25-24(26,27)22-9-5-4-8-21(22)19-12-10-18(11-13-19)16-29-15-14-28-23(17-29)20-6-2-1-3-7-20/h2-14,24H,15-18H2,1H3;1-13,23,28H,14-17H2.
What are the key properties of 1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine has a molecular weight of 806.94 g/mol, XLogP of 11.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine is sourced from PubChem (CID 158531265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).