4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid

C19H23FN4O2 — CID 18444483

IUPAC4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid
SMILESNCc1c(NCc2ccccc2F)cccc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C19H23FN4O2/c20-16-5-2-1-4-14(16)13-22-17-6-3-7-18(15(17)12-21)23-8-10-24(11-9-23)19(25)26/h1-7,22H,8-13,21H2,(H,25,26)
InChIKeyCFQMMQSDTUHLML-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.70
Rot. Bonds5

About 4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid

4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid (PubChem CID 18444483) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid
PubChem CID18444483
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid
SMILESNCc1c(NCc2ccccc2F)cccc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C19H23FN4O2/c20-16-5-2-1-4-14(16)13-22-17-6-3-7-18(15(17)12-21)23-8-10-24(11-9-23)19(25)26/h1-7,22H,8-13,21H2,(H,25,26)
InChIKeyCFQMMQSDTUHLML-UHFFFAOYSA-N
XLogP2.70
TPSA81.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-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

tert-butyl 4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylate
CID 69115564
1-[4-[2-(aminomethyl)-3-fluorophenyl]piperazin-1-yl]ethanone
CID 79516677
2-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492204
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109257022
4-(2-aminophenyl)piperazine-1-carboxylic acid
CID 68854737
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
2,2,2-trifluoro-1-[6-[(2-fluorophenyl)methylamino]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone
CID 87119095
tert-butyl 4-[4-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylate
CID 162647853
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
3-fluoro-2-nitro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 133439770
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950686

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid (CID 18444483) is 4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid is NCc1c(NCc2ccccc2F)cccc1N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid?
The InChIKey is CFQMMQSDTUHLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-16-5-2-1-4-14(16)13-22-17-6-3-7-18(15(17)12-21)23-8-10-24(11-9-23)19(25)26/h1-7,22H,8-13,21H2,(H,25,26).
What are the key properties of 4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid?
4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid has a molecular weight of 358.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 18444483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).