tert-butyl formate;4-piperazin-1-ylbenzaldehyde

C16H24N2O3 — CID 175192422

IUPACtert-butyl formate;4-piperazin-1-ylbenzaldehyde
SMILESCC(C)(C)OC=O.O=Cc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C11H14N2O.C5H10O2/c14-9-10-1-3-11(4-2-10)13-7-5-12-6-8-13;1-5(2,3)7-4-6/h1-4,9,12H,5-8H2;4H,1-3H3
InChIKeyVXYGCCIAVLCFET-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.87
Rot. Bonds3

About tert-butyl formate;4-piperazin-1-ylbenzaldehyde

tert-butyl formate;4-piperazin-1-ylbenzaldehyde (PubChem CID 175192422) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl formate;4-piperazin-1-ylbenzaldehyde.

Molecular Properties

Compound Nametert-butyl formate;4-piperazin-1-ylbenzaldehyde
PubChem CID175192422
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl formate;4-piperazin-1-ylbenzaldehyde
SMILESCC(C)(C)OC=O.O=Cc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C11H14N2O.C5H10O2/c14-9-10-1-3-11(4-2-10)13-7-5-12-6-8-13;1-5(2,3)7-4-6/h1-4,9,12H,5-8H2;4H,1-3H3
InChIKeyVXYGCCIAVLCFET-UHFFFAOYSA-N
XLogP1.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;2-(4-piperazin-1-ylphenyl)ethanamine
CID 174927711
tert-butyl formate;1-(3-iodophenyl)piperazine
CID 159699991
tert-butyl formate;6-piperazin-1-yl-1H-indole
CID 175263131
tert-butyl formate;2-methoxy-5-piperazin-1-ylaniline
CID 159836584
tert-butyl formate;5-piperazin-1-ylpyridine-2-carbonitrile
CID 158770552
tert-butyl formate;1-(3-methyl-4-nitrophenyl)piperazine
CID 174635518
(2-bromo-5-piperazin-1-ylphenyl)methanol;tert-butyl formate
CID 174928802
N-(4-bromophenyl)-4-piperazin-1-ylbenzamide;tert-butyl formate
CID 160949316
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzaldehyde
CID 87406619
tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol
CID 174458308
tert-butyl formate;3-ethyl-6-piperazin-1-yl-2H-indazole
CID 159945137

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-piperazin-1-ylbenzaldehyde?
The IUPAC name of tert-butyl formate;4-piperazin-1-ylbenzaldehyde (CID 175192422) is tert-butyl formate;4-piperazin-1-ylbenzaldehyde.
What is the SMILES notation for tert-butyl formate;4-piperazin-1-ylbenzaldehyde?
The canonical SMILES for tert-butyl formate;4-piperazin-1-ylbenzaldehyde is CC(C)(C)OC=O.O=Cc1ccc(N2CCNCC2)cc1.
What is the InChIKey of tert-butyl formate;4-piperazin-1-ylbenzaldehyde?
The InChIKey is VXYGCCIAVLCFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C5H10O2/c14-9-10-1-3-11(4-2-10)13-7-5-12-6-8-13;1-5(2,3)7-4-6/h1-4,9,12H,5-8H2;4H,1-3H3.
What are the key properties of tert-butyl formate;4-piperazin-1-ylbenzaldehyde?
tert-butyl formate;4-piperazin-1-ylbenzaldehyde has a molecular weight of 292.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-piperazin-1-ylbenzaldehyde is sourced from PubChem (CID 175192422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).