ethyl 2-benzylpiperazine-1-carboxylate

C14H20N2O2 — CID 70103496

IUPACethyl 2-benzylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCNCC1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)16-9-8-15-11-13(16)10-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChIKeyXIJVWVYPFOJVCP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.66
Rot. Bonds3

About ethyl 2-benzylpiperazine-1-carboxylate

ethyl 2-benzylpiperazine-1-carboxylate (PubChem CID 70103496) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 2-benzylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzylpiperazine-1-carboxylate
PubChem CID70103496
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 2-benzylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCNCC1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)16-9-8-15-11-13(16)10-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChIKeyXIJVWVYPFOJVCP-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

prop-2-enyl 2-benzylpiperazine-1-carboxylate
CID 82245927
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
benzyl 2-(methoxymethyl)piperazine-1-carboxylate
CID 141396583
benzyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072579
2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 110480760
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
1-(2-benzyl-1,4-diazepan-1-yl)pentan-1-one
CID 82248077
(2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 76587190
3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one
CID 68669114
[(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 151542372
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
CID 25265687
1-(2-benzylpiperazin-1-yl)-2-(2-phenoxyphenyl)ethanone
CID 68668878

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzylpiperazine-1-carboxylate?
The IUPAC name of ethyl 2-benzylpiperazine-1-carboxylate (CID 70103496) is ethyl 2-benzylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 2-benzylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 2-benzylpiperazine-1-carboxylate is CCOC(=O)N1CCNCC1Cc1ccccc1.
What is the InChIKey of ethyl 2-benzylpiperazine-1-carboxylate?
The InChIKey is XIJVWVYPFOJVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-14(17)16-9-8-15-11-13(16)10-12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3.
What are the key properties of ethyl 2-benzylpiperazine-1-carboxylate?
ethyl 2-benzylpiperazine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzylpiperazine-1-carboxylate is sourced from PubChem (CID 70103496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).