2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid

C17H25FN2O2 — CID 83978130

IUPAC2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
SMILESCC(C)CN1CCN(C(C(=O)O)c2ccc(F)cc2)CC1C
InChIInChI=1S/C17H25FN2O2/c1-12(2)10-19-8-9-20(11-13(19)3)16(17(21)22)14-4-6-15(18)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3,(H,21,22)
InChIKeyMVGIIXWDOVDDKX-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.61
Rot. Bonds5

About 2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid

2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid (PubChem CID 83978130) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
PubChem CID83978130
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
SMILESCC(C)CN1CCN(C(C(=O)O)c2ccc(F)cc2)CC1C
InChIInChI=1S/C17H25FN2O2/c1-12(2)10-19-8-9-20(11-13(19)3)16(17(21)22)14-4-6-15(18)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3,(H,21,22)
InChIKeyMVGIIXWDOVDDKX-UHFFFAOYSA-N
XLogP2.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]-2-(4-methylphenyl)acetic acid
CID 83978333
2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
CID 56802234
2-[3-ethyl-4-(2-methylpropyl)piperazin-1-yl]-2-(4-methylphenyl)acetic acid
CID 83978336
(2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 100838841
2-(3,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 83977734
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
CID 82345138
(2S)-2-(4-fluorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 25418490
1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine
CID 63603808
2-[(2R)-4-[(3-bromophenyl)-(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid
CID 68931684
2-(6-cyclopropyl-1,4-oxazepan-4-yl)-2-(4-fluorophenyl)acetic acid
CID 155956084
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)acetic acid
CID 83978431

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid (CID 83978130) is 2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid is CC(C)CN1CCN(C(C(=O)O)c2ccc(F)cc2)CC1C.
What is the InChIKey of 2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid?
The InChIKey is MVGIIXWDOVDDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12(2)10-19-8-9-20(11-13(19)3)16(17(21)22)14-4-6-15(18)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid?
2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid has a molecular weight of 308.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 83978130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).