2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid

C16H24N2O2 — CID 46839450

IUPAC2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid
SMILESCC(C)[C@@H](Cc1ccccc1C(=O)O)C1CNCCN1
InChIInChI=1S/C16H24N2O2/c1-11(2)14(15-10-17-7-8-18-15)9-12-5-3-4-6-13(12)16(19)20/h3-6,11,14-15,17-18H,7-10H2,1-2H3,(H,19,20)/t14-,15?/m1/s1
InChIKeyFGAVXMSOTYTXDC-GICMACPYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds5

About 2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid

2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid (PubChem CID 46839450) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid.

Molecular Properties

Compound Name2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid
PubChem CID46839450
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid
SMILESCC(C)[C@@H](Cc1ccccc1C(=O)O)C1CNCCN1
InChIInChI=1S/C16H24N2O2/c1-11(2)14(15-10-17-7-8-18-15)9-12-5-3-4-6-13(12)16(19)20/h3-6,11,14-15,17-18H,7-10H2,1-2H3,(H,19,20)/t14-,15?/m1/s1
InChIKeyFGAVXMSOTYTXDC-GICMACPYSA-N
XLogP1.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic 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

2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914
3-[(1S)-1-piperazin-2-ylethyl]benzoic acid
CID 46839487
2-[[(2R)-2-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 45072806
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
acetic acid;(R)-phenyl-[(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine
CID 68671763
2-[(2S)-2-(carboxyamino)propyl]benzoic acid
CID 69006409
2-(3,5,5-trimethylhexyl)benzoic acid
CID 22925364
2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid
CID 104548311
2-[(2E)-2-hydroxyiminopropyl]benzoic acid
CID 55250542
2-ethylbenzoic acid;tungsten
CID 23518478
2-(2-oxobutyl)benzoic acid
CID 12758327
2-[(3R)-3-propan-2-ylpiperazin-1-yl]benzoic acid
CID 45073219

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid?
The IUPAC name of 2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid (CID 46839450) is 2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid.
What is the SMILES notation for 2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid?
The canonical SMILES for 2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid is CC(C)[C@@H](Cc1ccccc1C(=O)O)C1CNCCN1.
What is the InChIKey of 2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid?
The InChIKey is FGAVXMSOTYTXDC-GICMACPYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)14(15-10-17-7-8-18-15)9-12-5-3-4-6-13(12)16(19)20/h3-6,11,14-15,17-18H,7-10H2,1-2H3,(H,19,20)/t14-,15?/m1/s1.
What are the key properties of 2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid?
2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid has a molecular weight of 276.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-methyl-2-piperazin-2-ylbutyl]benzoic acid is sourced from PubChem (CID 46839450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).