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

C14H20N2O2 — CID 15343157

IUPACmethyl 2-(4-benzylpiperazin-1-yl)acetate
SMILESCOC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)12-16-9-7-15(8-10-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyPZUTXFJKMUIAKA-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.98
Rot. Bonds4

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

methyl 2-(4-benzylpiperazin-1-yl)acetate (PubChem CID 15343157) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 2-(4-benzylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-benzylpiperazin-1-yl)acetate
PubChem CID15343157
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 2-(4-benzylpiperazin-1-yl)acetate
SMILESCOC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)12-16-9-7-15(8-10-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyPZUTXFJKMUIAKA-UHFFFAOYSA-N
XLogP0.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
Ethyl 2-(4-benzylpiperazin-1-yl)acetate
CID 5060109
N-Benzylaminodiacetic acid
CID 77606
2-(Dibenzylamino)acetic acid
CID 174082
Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
N-Benzylglycine ethyl ester
CID 80908
(2-methoxy-2-oxoethyl)dimethyl[(2Z)-3-phenylprop-2-en-1-yl]azanium bromide
CID 16192814
(4-Benzhydryl-piperazin-1-yl)-acetic acid
CID 4741586
Ethyl 1-benzylpiperidine-2-carboxylate
CID 2838690
Methyl 2-(benzylamino)acetate
CID 422659
Diethyl benzyliminodiacetate
CID 5235503
Ethyl 4-(2-fluorobenzyl)-1-piperazinecarboxylate
CID 782970

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-benzylpiperazin-1-yl)acetate?
The IUPAC name of methyl 2-(4-benzylpiperazin-1-yl)acetate (CID 15343157) is methyl 2-(4-benzylpiperazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-benzylpiperazin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-benzylpiperazin-1-yl)acetate is COC(=O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 2-(4-benzylpiperazin-1-yl)acetate?
The InChIKey is PZUTXFJKMUIAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-14(17)12-16-9-7-15(8-10-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of methyl 2-(4-benzylpiperazin-1-yl)acetate?
methyl 2-(4-benzylpiperazin-1-yl)acetate has a molecular weight of 248.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-benzylpiperazin-1-yl)acetate is sourced from PubChem (CID 15343157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).