benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate

C18H20N2O3 — CID 19034142

IUPACbenzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H20N2O3/c21-17-9-5-4-8-16(17)19-10-12-20(13-11-19)18(22)23-14-15-6-2-1-3-7-15/h1-9,21H,10-14H2
InChIKeyALGXHTIXCHYTRE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.85
Rot. Bonds3

About benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate

benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate (PubChem CID 19034142) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
PubChem CID19034142
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namebenzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H20N2O3/c21-17-9-5-4-8-16(17)19-10-12-20(13-11-19)18(22)23-14-15-6-2-1-3-7-15/h1-9,21H,10-14H2
InChIKeyALGXHTIXCHYTRE-UHFFFAOYSA-N
XLogP2.85
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568153
2,2,2-trifluoroethyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 65173274
benzyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate
CID 24938727
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
dibenzyl 1,7-diaza-4,10-diazoniacyclododecane-1,7-dicarboxylate dichloride
CID 172851166

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate (CID 19034142) is benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate?
The InChIKey is ALGXHTIXCHYTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17-9-5-4-8-16(17)19-10-12-20(13-11-19)18(22)23-14-15-6-2-1-3-7-15/h1-9,21H,10-14H2.
What are the key properties of benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate?
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 19034142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).