tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate

C19H28N2O2 — CID 77144706

IUPACtert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCC=Cc2ccccc2)CC1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-15-13-20(14-16-21)12-8-7-11-17-9-5-4-6-10-17/h4-7,9-11H,8,12-16H2,1-3H3
InChIKeyVCJLQCBCXPIHIL-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.64
Rot. Bonds4

About tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate

tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate (PubChem CID 77144706) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate
PubChem CID77144706
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Nametert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCC=Cc2ccccc2)CC1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-15-13-20(14-16-21)12-8-7-11-17-9-5-4-6-10-17/h4-7,9-11H,8,12-16H2,1-3H3
InChIKeyVCJLQCBCXPIHIL-UHFFFAOYSA-N
XLogP3.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one
CID 110711063
tert-butyl 4-[(E)-4-phenylbut-3-enyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 155935850
tert-butyl 4-(3-anilino-3-oxopropyl)piperazine-1-carboxylate
CID 52579913
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
(E,2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-phenylbut-3-enoic acid
CID 7146137
tert-butyl 4-[1-[(Z)-3-phenylprop-2-enoxy]ethyl]piperidine-1-carboxylate
CID 70052022
tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate
CID 59373082
tert-butyl 4-[4-(1-benzyl-5-cyanoindol-3-yl)but-3-enyl]piperazine-1-carboxylate
CID 123689498
tert-butyl 4-benzyl-1,4-diazepane-1-carboxylate;ethane
CID 170594815
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
tert-butyl (2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 60615861
tert-butyl 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 110414432

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate (CID 77144706) is tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCC=Cc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate?
The InChIKey is VCJLQCBCXPIHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-15-13-20(14-16-21)12-8-7-11-17-9-5-4-6-10-17/h4-7,9-11H,8,12-16H2,1-3H3.
What are the key properties of tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate?
tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate has a molecular weight of 316.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate is sourced from PubChem (CID 77144706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).