(2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid

C22H26F2N2O2 — CID 170434003

IUPAC(2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid
SMILESCC[C@H]1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](CC)CN1C(=O)O
InChIInChI=1S/C22H26F2N2O2/c1-3-19-14-26(22(27)28)20(4-2)13-25(19)21(15-5-9-17(23)10-6-15)16-7-11-18(24)12-8-16/h5-12,19-21H,3-4,13-14H2,1-2H3,(H,27,28)/t19-,20+/m1/s1
InChIKeyDRWIXKBJKKMCKE-UXHICEINSA-N
MW388.46 g/mol
LogP4.91
Rot. Bonds5

About (2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid

(2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid (PubChem CID 170434003) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is (2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid
PubChem CID170434003
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name(2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid
SMILESCC[C@H]1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](CC)CN1C(=O)O
InChIInChI=1S/C22H26F2N2O2/c1-3-19-14-26(22(27)28)20(4-2)13-25(19)21(15-5-9-17(23)10-6-15)16-7-11-18(24)12-8-16/h5-12,19-21H,3-4,13-14H2,1-2H3,(H,27,28)/t19-,20+/m1/s1
InChIKeyDRWIXKBJKKMCKE-UXHICEINSA-N
XLogP4.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclizine
CID 6726
Flunarizine
CID 941361
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
1-(Bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propen-1-yl)piperazine
CID 3378
(2S)-4-(2,5-difluorophenyl)-N-(1-acetylpiperidin-4-yl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901491
1-(4-Benzhydrylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 718736
(E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid
CID 808806
(2R,4R,5S)-1-Allyl-4-benzhydryl-2,5-dimethyl-piperazine
CID 10592239
1-[Bis(4-fluoro-phenyl)-methyl]-4-(2-pyrrolidin-1-ylethyl)-piperazine
CID 15984120

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid?
The IUPAC name of (2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid (CID 170434003) is (2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid?
The canonical SMILES for (2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid is CC[C@H]1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](CC)CN1C(=O)O.
What is the InChIKey of (2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid?
The InChIKey is DRWIXKBJKKMCKE-UXHICEINSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-3-19-14-26(22(27)28)20(4-2)13-25(19)21(15-5-9-17(23)10-6-15)16-7-11-18(24)12-8-16/h5-12,19-21H,3-4,13-14H2,1-2H3,(H,27,28)/t19-,20+/m1/s1.
What are the key properties of (2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid?
(2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid has a molecular weight of 388.46 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-diethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 170434003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).