benzyl 2-(methoxymethyl)piperazine-1-carboxylate

C14H20N2O3 — CID 141396583

IUPACbenzyl 2-(methoxymethyl)piperazine-1-carboxylate
SMILESCOCC1CNCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-18-11-13-9-15-7-8-16(13)14(17)19-10-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3
InChIKeyTYZGIKFLHAAYKB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.24
Rot. Bonds4

About benzyl 2-(methoxymethyl)piperazine-1-carboxylate

benzyl 2-(methoxymethyl)piperazine-1-carboxylate (PubChem CID 141396583) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl 2-(methoxymethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(methoxymethyl)piperazine-1-carboxylate
PubChem CID141396583
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl 2-(methoxymethyl)piperazine-1-carboxylate
SMILESCOCC1CNCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-18-11-13-9-15-7-8-16(13)14(17)19-10-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3
InChIKeyTYZGIKFLHAAYKB-UHFFFAOYSA-N
XLogP1.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072579
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
benzyl 2-tert-butylpiperazine-1-carboxylate
CID 158296243
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
benzyl (2S,5R)-2-(methoxymethyl)-5-methylpyrrolidine-1-carboxylate
CID 102294969
prop-2-enyl 2-benzylpiperazine-1-carboxylate
CID 82245927
benzyl 2-(methoxymethyl)-4,4-diphenylpyrrolidine-1-carboxylate
CID 46945317
benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
CID 129394028
benzyl 2-[6-(1-methoxyethyl)-3-pyridinyl]piperazine-1-carboxylate
CID 175918378
benzyl 2,3-dimethylpiperazine-1-carboxylate
CID 66936127
benzyl 4-cyano-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 20723868
benzyl (2R)-2-methyl-3-oxopiperazine-1-carboxylate
CID 72699156

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(methoxymethyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 2-(methoxymethyl)piperazine-1-carboxylate (CID 141396583) is benzyl 2-(methoxymethyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 2-(methoxymethyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 2-(methoxymethyl)piperazine-1-carboxylate is COCC1CNCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(methoxymethyl)piperazine-1-carboxylate?
The InChIKey is TYZGIKFLHAAYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-11-13-9-15-7-8-16(13)14(17)19-10-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3.
What are the key properties of benzyl 2-(methoxymethyl)piperazine-1-carboxylate?
benzyl 2-(methoxymethyl)piperazine-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(methoxymethyl)piperazine-1-carboxylate is sourced from PubChem (CID 141396583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).