tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium

C16H23N2O3Y- — CID 59369617

IUPACtert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium
SMILESCC(C)(C)OC(=O)N1CCN(Cc2[c-]cccc2O)CC1.[Y]
InChIInChI=1S/C16H23N2O3.Y/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)12-13-6-4-5-7-14(13)19;/h4-5,7,19H,8-12H2,1-3H3;/q-1;
InChIKeyIAVZOQVCFNNGDB-UHFFFAOYSA-N
MW380.28 g/mol
LogP2.24
Rot. Bonds2

About tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium

tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium (PubChem CID 59369617) has the molecular formula C16H23N2O3Y- and a molecular weight of 380.28 g/mol. Its IUPAC name is tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium.

Molecular Properties

Compound Nametert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium
PubChem CID59369617
Molecular FormulaC16H23N2O3Y-
Molecular Weight380.28 g/mol
Exact Mass380.08
IUPAC Nametert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium
SMILESCC(C)(C)OC(=O)N1CCN(Cc2[c-]cccc2O)CC1.[Y]
InChIInChI=1S/C16H23N2O3.Y/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)12-13-6-4-5-7-14(13)19;/h4-5,7,19H,8-12H2,1-3H3;/q-1;
InChIKeyIAVZOQVCFNNGDB-UHFFFAOYSA-N
XLogP2.24
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
tert-butyl 4-benzyl-1,4-diazepane-1-carboxylate;ethane
CID 170594815
tert-butyl 4-[(5-amino-2-hydroxyphenyl)methyl]piperazine-1-carboxylate
CID 104933485
tert-butyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate;ethane
CID 143091032
tert-butyl 4-[[4-(aminomethyl)phenyl]methyl]piperazine-1-carboxylate
CID 103616556
tert-butyl 4-[[2-(hydroxymethyl)-3-pyridinyl]methyl]piperazine-1-carboxylate
CID 138471901
tert-butyl 4-(2-pyridin-4-ylethyl)piperazine-1-carboxylate
CID 22321631
tert-butyl 4-[(4-chloro-2-fluorophenyl)methyl]piperazine-1-carboxylate
CID 138608922
tert-butyl 4-[[6-(chloromethyl)-2-pyridinyl]methyl]piperazine-1-carboxylate
CID 58105228
tert-butyl 4-[(2-cyanophenyl)methyl]piperazine-1-carboxylate
CID 135121903
tert-butyl 4-[(2,3,5-trifluorophenyl)methyl]piperazine-1-carboxylate
CID 90725156
tert-butyl 4-[[2-hydroxy-5-(2-methoxy-2-oxoethyl)phenyl]methyl]piperazine-1-carboxylate
CID 68844226

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium?
The IUPAC name of tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium (CID 59369617) is tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium.
What is the SMILES notation for tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium?
The canonical SMILES for tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium is CC(C)(C)OC(=O)N1CCN(Cc2[c-]cccc2O)CC1.[Y].
What is the InChIKey of tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium?
The InChIKey is IAVZOQVCFNNGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N2O3.Y/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)12-13-6-4-5-7-14(13)19;/h4-5,7,19H,8-12H2,1-3H3;/q-1;.
What are the key properties of tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium?
tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium has a molecular weight of 380.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-hydroxybenzene-6-id-1-yl)methyl]piperazine-1-carboxylate;yttrium is sourced from PubChem (CID 59369617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).