[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol

C12H19N3O — CID 71157233

IUPAC[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol
SMILESNN1CCN(Cc2ccccc2)C[C@H]1CO
InChIInChI=1S/C12H19N3O/c13-15-7-6-14(9-12(15)10-16)8-11-4-2-1-3-5-11/h1-5,12,16H,6-10,13H2/t12-/m0/s1
InChIKeyBSLWWBIJSSVXIR-LBPRGKRZSA-N
MW221.30 g/mol
LogP0.04
Rot. Bonds3

About [(2S)-1-amino-4-benzylpiperazin-2-yl]methanol

[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol (PubChem CID 71157233) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [(2S)-1-amino-4-benzylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol
PubChem CID71157233
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol
SMILESNN1CCN(Cc2ccccc2)C[C@H]1CO
InChIInChI=1S/C12H19N3O/c13-15-7-6-14(9-12(15)10-16)8-11-4-2-1-3-5-11/h1-5,12,16H,6-10,13H2/t12-/m0/s1
InChIKeyBSLWWBIJSSVXIR-LBPRGKRZSA-N
XLogP0.04
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
CID 170598960
(2S)-2-[(2S)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-2-chloroacetaldehyde
CID 135348226
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
CID 135137500
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
[(2R)-4-benzyl-1-(5-methyl-1,2-oxazol-3-yl)piperazin-2-yl]methanol
CID 59674842
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-4-benzylpiperazin-2-yl]methanol?
The IUPAC name of [(2S)-1-amino-4-benzylpiperazin-2-yl]methanol (CID 71157233) is [(2S)-1-amino-4-benzylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-amino-4-benzylpiperazin-2-yl]methanol?
The canonical SMILES for [(2S)-1-amino-4-benzylpiperazin-2-yl]methanol is NN1CCN(Cc2ccccc2)C[C@H]1CO.
What is the InChIKey of [(2S)-1-amino-4-benzylpiperazin-2-yl]methanol?
The InChIKey is BSLWWBIJSSVXIR-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N3O/c13-15-7-6-14(9-12(15)10-16)8-11-4-2-1-3-5-11/h1-5,12,16H,6-10,13H2/t12-/m0/s1.
What are the key properties of [(2S)-1-amino-4-benzylpiperazin-2-yl]methanol?
[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-4-benzylpiperazin-2-yl]methanol is sourced from PubChem (CID 71157233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).