benzyl 1,2-dihydroxypiperazine-2-carboxylate

C12H16N2O4 — CID 141359574

IUPACbenzyl 1,2-dihydroxypiperazine-2-carboxylate
SMILESO=C(OCc1ccccc1)C1(O)CNCCN1O
InChIInChI=1S/C12H16N2O4/c15-11(12(16)9-13-6-7-14(12)17)18-8-10-4-2-1-3-5-10/h1-5,13,16-17H,6-9H2
InChIKeyDSEPGBZWBPBCOM-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.29
Rot. Bonds3

About benzyl 1,2-dihydroxypiperazine-2-carboxylate

benzyl 1,2-dihydroxypiperazine-2-carboxylate (PubChem CID 141359574) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is benzyl 1,2-dihydroxypiperazine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 1,2-dihydroxypiperazine-2-carboxylate
PubChem CID141359574
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namebenzyl 1,2-dihydroxypiperazine-2-carboxylate
SMILESO=C(OCc1ccccc1)C1(O)CNCCN1O
InChIInChI=1S/C12H16N2O4/c15-11(12(16)9-13-6-7-14(12)17)18-8-10-4-2-1-3-5-10/h1-5,13,16-17H,6-9H2
InChIKeyDSEPGBZWBPBCOM-UHFFFAOYSA-N
XLogP-0.29
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 78357894
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benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate
CID 139654801
1-[4-oxo-4-(phenylmethoxyamino)butanoyl]-2-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 22071928
benzyl 3-(2,2-dimethylpiperazin-1-yl)-2-methylpropanoate
CID 106484437
3-O'-benzyl 3-O-ethyl piperidine-3,3-dicarboxylate
CID 22078511
2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid
CID 70338287
benzyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate
CID 118798402
benzyl 4-[(3-hydroxyazetidin-3-yl)methyl]piperazine-1-carboxylate
CID 169120416
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282

Frequently Asked Questions

What is the IUPAC name of benzyl 1,2-dihydroxypiperazine-2-carboxylate?
The IUPAC name of benzyl 1,2-dihydroxypiperazine-2-carboxylate (CID 141359574) is benzyl 1,2-dihydroxypiperazine-2-carboxylate.
What is the SMILES notation for benzyl 1,2-dihydroxypiperazine-2-carboxylate?
The canonical SMILES for benzyl 1,2-dihydroxypiperazine-2-carboxylate is O=C(OCc1ccccc1)C1(O)CNCCN1O.
What is the InChIKey of benzyl 1,2-dihydroxypiperazine-2-carboxylate?
The InChIKey is DSEPGBZWBPBCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-11(12(16)9-13-6-7-14(12)17)18-8-10-4-2-1-3-5-10/h1-5,13,16-17H,6-9H2.
What are the key properties of benzyl 1,2-dihydroxypiperazine-2-carboxylate?
benzyl 1,2-dihydroxypiperazine-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1,2-dihydroxypiperazine-2-carboxylate is sourced from PubChem (CID 141359574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).