(2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid

C12H15FN2O2 — CID 86329900

IUPAC(2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CNCCN1Cc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-9(2-4-10)8-15-6-5-14-7-11(15)12(16)17/h1-4,11,14H,5-8H2,(H,16,17)/t11-/m1/s1
InChIKeyVUWMAXWTQKINGM-LLVKDONJSA-N
MW238.26 g/mol
LogP0.68
Rot. Bonds3

About (2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid

(2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid (PubChem CID 86329900) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid
PubChem CID86329900
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CNCCN1Cc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-9(2-4-10)8-15-6-5-14-7-11(15)12(16)17/h1-4,11,14H,5-8H2,(H,16,17)/t11-/m1/s1
InChIKeyVUWMAXWTQKINGM-LLVKDONJSA-N
XLogP0.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]piperazine-2-carboxylic acid;hydrochloride
CID 156595749
1-[(3-chloro-2-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 114488257
methyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 66877095
1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 71646339
(2S)-1-[(6-chloropyridazin-3-yl)methyl]piperazine-2-carboxylic acid
CID 97166514
methyl 1-benzylpiperazine-2-carboxylate
CID 22721935
1-[[4-(difluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 115524644
methyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487359
ethyl 1-[(4-chlorophenyl)methyl]piperazine-2-carboxylate
CID 10850510
2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine
CID 64833163
1-[(3-chloro-5-fluorophenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 114453785
4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid (CID 86329900) is (2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid is O=C(O)[C@H]1CNCCN1Cc1ccc(F)cc1.
What is the InChIKey of (2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid?
The InChIKey is VUWMAXWTQKINGM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-3-1-9(2-4-10)8-15-6-5-14-7-11(15)12(16)17/h1-4,11,14H,5-8H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid?
(2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-fluorophenyl)methyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 86329900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).