2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid

C20H22F2N2O2 — CID 68930449

IUPAC2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid
SMILESC[C@@H]1CN(C(c2ccccc2)c2ccc(F)cc2F)CCN1CC(=O)O
InChIInChI=1S/C20H22F2N2O2/c1-14-12-24(10-9-23(14)13-19(25)26)20(15-5-3-2-4-6-15)17-8-7-16(21)11-18(17)22/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,25,26)/t14-,20?/m1/s1
InChIKeyHMWZKVCJOXBADA-QMRFKDRMSA-N
MW360.40 g/mol
LogP3.14
Rot. Bonds5

About 2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid

2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid (PubChem CID 68930449) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid
PubChem CID68930449
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid
SMILESC[C@@H]1CN(C(c2ccccc2)c2ccc(F)cc2F)CCN1CC(=O)O
InChIInChI=1S/C20H22F2N2O2/c1-14-12-24(10-9-23(14)13-19(25)26)20(15-5-3-2-4-6-15)17-8-7-16(21)11-18(17)22/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,25,26)/t14-,20?/m1/s1
InChIKeyHMWZKVCJOXBADA-QMRFKDRMSA-N
XLogP3.14
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid with MolForge

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Related Compounds

2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium
CID 161086526
2-[(2R)-4-[(3-bromophenyl)-(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid
CID 68931684
2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;2-[(2S)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;methane;bis(rhodium)
CID 161273691
2-[(2R)-2-methyl-4-[phenyl-(3-phenylphenyl)methyl]piperazin-1-yl]acetic acid;dihydrochloride
CID 68937255
1-[(2,4-difluorophenyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3946600
1-[(2,4-difluorophenyl)-(3-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 5014352
2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 19827122
1-[(4-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 3428001
1-[(2,4-difluorophenyl)-[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylic acid
CID 4619215
2-[(3R)-3-benzhydryl-4-(4-fluorophenyl)-2-methylpiperazin-1-yl]acetic acid;dihydrochloride
CID 68931918
1-[(2,4-difluorophenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid
CID 5029274
3-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119953698

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid (CID 68930449) is 2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid is C[C@@H]1CN(C(c2ccccc2)c2ccc(F)cc2F)CCN1CC(=O)O.
What is the InChIKey of 2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid?
The InChIKey is HMWZKVCJOXBADA-QMRFKDRMSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-14-12-24(10-9-23(14)13-19(25)26)20(15-5-3-2-4-6-15)17-8-7-16(21)11-18(17)22/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,25,26)/t14-,20?/m1/s1.
What are the key properties of 2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid?
2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid has a molecular weight of 360.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid is sourced from PubChem (CID 68930449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).