(2S)-1-benzyl-2-bromopiperazine

C11H15BrN2 — CID 150249323

IUPAC(2S)-1-benzyl-2-bromopiperazine
SMILESBr[C@H]1CNCCN1Cc1ccccc1
InChIInChI=1S/C11H15BrN2/c12-11-8-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m1/s1
InChIKeyFZEVIHBTLTWEQY-LLVKDONJSA-N
MW255.16 g/mol
LogP1.81
Rot. Bonds2

About (2S)-1-benzyl-2-bromopiperazine

(2S)-1-benzyl-2-bromopiperazine (PubChem CID 150249323) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is (2S)-1-benzyl-2-bromopiperazine.

Molecular Properties

Compound Name(2S)-1-benzyl-2-bromopiperazine
PubChem CID150249323
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name(2S)-1-benzyl-2-bromopiperazine
SMILESBr[C@H]1CNCCN1Cc1ccccc1
InChIInChI=1S/C11H15BrN2/c12-11-8-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m1/s1
InChIKeyFZEVIHBTLTWEQY-LLVKDONJSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
1-benzyl-7-methyl-1,4-diazepane
CID 56828058
methyl 1-benzylpiperazine-2-carboxylate
CID 22721935
methyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487359
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
4-[[(2S)-2-benzylpiperazin-1-yl]methyl]benzoic acid
CID 45072762
4-[(2-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414062
azane;1-benzylpiperazine
CID 174866973
[(6S)-1-benzyl-1,4-diazepan-6-yl]methanol
CID 86314075
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
ethyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487540
1-benzylimidazolidine;hydrochloride
CID 141144988

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-bromopiperazine?
The IUPAC name of (2S)-1-benzyl-2-bromopiperazine (CID 150249323) is (2S)-1-benzyl-2-bromopiperazine.
What is the SMILES notation for (2S)-1-benzyl-2-bromopiperazine?
The canonical SMILES for (2S)-1-benzyl-2-bromopiperazine is Br[C@H]1CNCCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2-bromopiperazine?
The InChIKey is FZEVIHBTLTWEQY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-11-8-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m1/s1.
What are the key properties of (2S)-1-benzyl-2-bromopiperazine?
(2S)-1-benzyl-2-bromopiperazine has a molecular weight of 255.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-bromopiperazine is sourced from PubChem (CID 150249323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).