tert-butyl 3-phenylpiperazine-1-carboxylate

C15H22N2O2 — CID 2735358

IUPACtert-butyl 3-phenylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-16-13(11-17)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3
InChIKeyHRRFJZULVYGVNJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.57
Rot. Bonds1

About tert-butyl 3-phenylpiperazine-1-carboxylate

tert-butyl 3-phenylpiperazine-1-carboxylate (PubChem CID 2735358) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 3-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-phenylpiperazine-1-carboxylate
PubChem CID2735358
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl 3-phenylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-16-13(11-17)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3
InChIKeyHRRFJZULVYGVNJ-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-(4-fluorophenyl)piperazine-1-carboxylate
CID 68747024
tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate
CID 131227560
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
tert-butyl 3-(3,4,5-trifluorophenyl)piperazine-1-carboxylate
CID 91666765
tert-butyl 3-(2-methylsulfanylphenyl)piperazine-1-carboxylate
CID 83806256
tert-butyl (3S)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
CID 133058705
tert-butyl 3-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 71432777
butyl 3-phenylpiperazine-1-carboxylate
CID 82246377
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
(E)-1-(3-phenylpiperazin-1-yl)but-2-en-1-one
CID 110478117
tert-butyl 3-phenylpyrrolidine-1-carboxylate;ethane;3-phenylpyrrolidine
CID 158730195

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-phenylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-phenylpiperazine-1-carboxylate (CID 2735358) is tert-butyl 3-phenylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-phenylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-phenylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(c2ccccc2)C1.
What is the InChIKey of tert-butyl 3-phenylpiperazine-1-carboxylate?
The InChIKey is HRRFJZULVYGVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-16-13(11-17)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3.
What are the key properties of tert-butyl 3-phenylpiperazine-1-carboxylate?
tert-butyl 3-phenylpiperazine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 2735358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).