(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

C57H54F6N4O — CID 160679268

IUPAC(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
SMILESFC(F)(F)c1ccccc1-c1ccc(CN2CCN[C@H](Cc3ccccc3)C2)cc1.O=C(c1ccccc1)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C[C@H]1Cc1ccccc1
InChIInChI=1S/C32H29F3N2O.C25H25F3N2/c33-32(34,35)30-14-8-7-13-29(30)26-17-15-25(16-18-26)22-36-19-20-37(31(38)27-11-5-2-6-12-27)28(23-36)21-24-9-3-1-4-10-24;26-25(27,28)24-9-5-4-8-23(24)21-12-10-20(11-13-21)17-30-15-14-29-22(18-30)16-19-6-2-1-3-7-19/h1-18,28H,19-23H2;1-13,22,29H,14-18H2/t28-;22-/m11/s1
InChIKeyRNXREBNCMLDLFB-RBSOHDIFSA-N
MW925.07 g/mol
LogP12.33
Rot. Bonds11

About (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

(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 (PubChem CID 160679268) has the molecular formula C57H54F6N4O and a molecular weight of 925.07 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160679268
Molecular FormulaC57H54F6N4O
Molecular Weight925.07 g/mol
Exact Mass924.42
IUPAC Name(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
SMILESFC(F)(F)c1ccccc1-c1ccc(CN2CCN[C@H](Cc3ccccc3)C2)cc1.O=C(c1ccccc1)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C[C@H]1Cc1ccccc1
InChIInChI=1S/C32H29F3N2O.C25H25F3N2/c33-32(34,35)30-14-8-7-13-29(30)26-17-15-25(16-18-26)22-36-19-20-37(31(38)27-11-5-2-6-12-27)28(23-36)21-24-9-3-1-4-10-24;26-25(27,28)24-9-5-4-8-23(24)21-12-10-20(11-13-21)17-30-15-14-29-22(18-30)16-19-6-2-1-3-7-19/h1-18,28H,19-23H2;1-13,22,29H,14-18H2/t28-;22-/m11/s1
InChIKeyRNXREBNCMLDLFB-RBSOHDIFSA-N
XLogP12.33
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.07
LogP ≤ 512.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066
2-[4-[(3-benzylpiperazin-1-yl)methyl]phenyl]benzonitrile
CID 69056940
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-[(2S)-2-benzyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-2-phenylacetaldehyde
CID 87707703
3-[[(3S)-3-benzylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 146013000
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
1-methyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine;3-phenyl-1-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
CID 158531265
N,N-diethyl-2-phenyl-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazine-1-carboxamide
CID 69150558
[(2E)-2-benzylidene-4-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]-phenylmethanone
CID 163662907
4-[[(2R)-4-benzylpiperazin-2-yl]methyl]benzonitrile
CID 59325125
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
[(2R)-4-benzyl-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
CID 69418415

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is FC(F)(F)c1ccccc1-c1ccc(CN2CCN[C@H](Cc3ccccc3)C2)cc1.O=C(c1ccccc1)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C[C@H]1Cc1ccccc1.
What is the InChIKey of (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?
The InChIKey is RNXREBNCMLDLFB-RBSOHDIFSA-N. The full InChI is InChI=1S/C32H29F3N2O.C25H25F3N2/c33-32(34,35)30-14-8-7-13-29(30)26-17-15-25(16-18-26)22-36-19-20-37(31(38)27-11-5-2-6-12-27)28(23-36)21-24-9-3-1-4-10-24;26-25(27,28)24-9-5-4-8-23(24)21-12-10-20(11-13-21)17-30-15-14-29-22(18-30)16-19-6-2-1-3-7-19/h1-18,28H,19-23H2;1-13,22,29H,14-18H2/t28-;22-/m11/s1.
What are the key properties of (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?
(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 has a molecular weight of 925.07 g/mol, XLogP of 12.33, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160679268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).