ethyl 2-(4-benzylpiperazin-1-yl)acetate

C15H22N2O2 — CID 5060109

IUPACethyl 2-(4-benzylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)13-17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyCGEGJBMEYWWPNX-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.37
Rot. Bonds5

About ethyl 2-(4-benzylpiperazin-1-yl)acetate

ethyl 2-(4-benzylpiperazin-1-yl)acetate (PubChem CID 5060109) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2-(4-benzylpiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-benzylpiperazin-1-yl)acetate
PubChem CID5060109
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 2-(4-benzylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)13-17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyCGEGJBMEYWWPNX-UHFFFAOYSA-N
XLogP1.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-benzylpiperazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-benzylpiperazin-1-yl)acetate (CID 5060109) is ethyl 2-(4-benzylpiperazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-benzylpiperazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-benzylpiperazin-1-yl)acetate is CCOC(=O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-(4-benzylpiperazin-1-yl)acetate?
The InChIKey is CGEGJBMEYWWPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-15(18)13-17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of ethyl 2-(4-benzylpiperazin-1-yl)acetate?
ethyl 2-(4-benzylpiperazin-1-yl)acetate has a molecular weight of 262.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-benzylpiperazin-1-yl)acetate is sourced from PubChem (CID 5060109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).