tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate

C19H24N4O2 — CID 59511347

IUPACtert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)25-18(24)23-13-11-22(12-14-23)16-7-5-15(6-8-16)17-20-9-4-10-21-17/h4-10H,11-14H2,1-3H3
InChIKeyHWPFLYDXYDPJCQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.20
Rot. Bonds2

About tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate

tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate (PubChem CID 59511347) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate
PubChem CID59511347
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Nametert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)25-18(24)23-13-11-22(12-14-23)16-7-5-15(6-8-16)17-20-9-4-10-21-17/h4-10H,11-14H2,1-3H3
InChIKeyHWPFLYDXYDPJCQ-UHFFFAOYSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate;methane
CID 167653835
tert-butyl 4-(4-acetylphenyl)piperazine-1-carboxylate
CID 21136190
tert-butyl 4-(4-carbonochloridoylphenyl)piperazine-1-carboxylate
CID 57439881
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;ethane
CID 156798550
tert-butyl 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]piperazine-1-carboxylate
CID 168516136
tritert-butyl 10-(4-methylsulfanylphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 102191974
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
tert-butyl 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate
CID 53396572
tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate
CID 142155750
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
tert-butyl 4-(4-methylsulfinylphenyl)piperazine-1-carboxylate
CID 59706451
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate (CID 59511347) is tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1.
What is the InChIKey of tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate?
The InChIKey is HWPFLYDXYDPJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(2,3)25-18(24)23-13-11-22(12-14-23)16-7-5-15(6-8-16)17-20-9-4-10-21-17/h4-10H,11-14H2,1-3H3.
What are the key properties of tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate?
tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 59511347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).