tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate

C18H26N2O5 — CID 171677104

IUPACtert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCN(C(=O)C(O)c2ccc(O)cc2)CC1
InChIInChI=1S/C18H26N2O5/c1-18(2,3)25-15(22)12-19-8-10-20(11-9-19)17(24)16(23)13-4-6-14(21)7-5-13/h4-7,16,21,23H,8-12H2,1-3H3
InChIKeyDDZDRDPXCHBLOD-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.91
Rot. Bonds4

About tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate

tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate (PubChem CID 171677104) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate
PubChem CID171677104
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nametert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCN(C(=O)C(O)c2ccc(O)cc2)CC1
InChIInChI=1S/C18H26N2O5/c1-18(2,3)25-15(22)12-19-8-10-20(11-9-19)17(24)16(23)13-4-6-14(21)7-5-13/h4-7,16,21,23H,8-12H2,1-3H3
InChIKeyDDZDRDPXCHBLOD-UHFFFAOYSA-N
XLogP0.91
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate
CID 11195897
tert-butyl 2-[4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-prop-1-en-2-yl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 59865517
tert-butyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 152732549
tert-butyl 2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetate
CID 8819198
tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetate;2-[4-(carboxymethyl)-7-[(4-hydroxyphenyl)methyl]-1,4,7-triazonan-1-yl]acetic acid;4-methylphenol
CID 157150802
tert-butyl 2-[4-[(8-hydroxyquinolin-2-yl)methyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 101465965
(2,5-dihydroxypyrrol-1-yl) 2-[4-[[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]methyl]phenyl]acetate
CID 123695453
potassium 4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carbodithioate
CID 102233269
tert-butyl 2-[4-[[4-(methylamino)phenyl]methyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 134831321
methyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,10-bis(2-oxo-2-phenylmethoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 118103309
tert-butyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,10-bis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 50936681
1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538793

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate (CID 171677104) is tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCN(C(=O)C(O)c2ccc(O)cc2)CC1.
What is the InChIKey of tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate?
The InChIKey is DDZDRDPXCHBLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-18(2,3)25-15(22)12-19-8-10-20(11-9-19)17(24)16(23)13-4-6-14(21)7-5-13/h4-7,16,21,23H,8-12H2,1-3H3.
What are the key properties of tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate?
tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate has a molecular weight of 350.42 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[2-hydroxy-2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]acetate is sourced from PubChem (CID 171677104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).