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OGBSXIAMRFKRNN-UHFFFAOYSA-N

C13H18N2O3 — CID 2460961

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C13H18N2O3/c1-2-18-13(17)15-9-7-14(8-10-15)11-5-3-4-6-12(11)16/h3-6,16H,2,7-10H2,1H3
InChIKeyOGBSXIAMRFKRNN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.67
Rot. Bonds2

About OGBSXIAMRFKRNN-UHFFFAOYSA-N

OGBSXIAMRFKRNN-UHFFFAOYSA-N (PubChem CID 2460961) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound NameOGBSXIAMRFKRNN-UHFFFAOYSA-N
PubChem CID2460961
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C13H18N2O3/c1-2-18-13(17)15-9-7-14(8-10-15)11-5-3-4-6-12(11)16/h3-6,16H,2,7-10H2,1H3
InChIKeyOGBSXIAMRFKRNN-UHFFFAOYSA-N
XLogP1.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of OGBSXIAMRFKRNN-UHFFFAOYSA-N?
The IUPAC name of OGBSXIAMRFKRNN-UHFFFAOYSA-N (CID 2460961) is ethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for OGBSXIAMRFKRNN-UHFFFAOYSA-N?
The canonical SMILES for OGBSXIAMRFKRNN-UHFFFAOYSA-N is CCOC(=O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of OGBSXIAMRFKRNN-UHFFFAOYSA-N?
The InChIKey is OGBSXIAMRFKRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-13(17)15-9-7-14(8-10-15)11-5-3-4-6-12(11)16/h3-6,16H,2,7-10H2,1H3.
What are the key properties of OGBSXIAMRFKRNN-UHFFFAOYSA-N?
OGBSXIAMRFKRNN-UHFFFAOYSA-N has a molecular weight of 250.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for OGBSXIAMRFKRNN-UHFFFAOYSA-N is sourced from PubChem (CID 2460961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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