phenyl 4-tert-butylpiperazine-1-carboxylate

C15H22N2O2 — CID 61068784

IUPACphenyl 4-tert-butylpiperazine-1-carboxylate
SMILESCC(C)(C)N1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)17-11-9-16(10-12-17)14(18)19-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyYAXZWSUKQYDVQY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.60
Rot. Bonds1

About phenyl 4-tert-butylpiperazine-1-carboxylate

phenyl 4-tert-butylpiperazine-1-carboxylate (PubChem CID 61068784) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is phenyl 4-tert-butylpiperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-tert-butylpiperazine-1-carboxylate
PubChem CID61068784
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namephenyl 4-tert-butylpiperazine-1-carboxylate
SMILESCC(C)(C)N1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)17-11-9-16(10-12-17)14(18)19-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyYAXZWSUKQYDVQY-UHFFFAOYSA-N
XLogP2.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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phenyl 4-methyl-1,4-diazepane-1-carboxylate
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CID 110365696
phenyl 4-sulfamoylpiperazine-1-carboxylate
CID 61132871
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568141
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
CID 104897697
phenyl 4-cyclopentylpiperazine-1-carboxylate
CID 60745355
phenyl 4-phenyl-1,4-diazepane-1-carboxylate
CID 110873802
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate
CID 113282998

Frequently Asked Questions

What is the IUPAC name of phenyl 4-tert-butylpiperazine-1-carboxylate?
The IUPAC name of phenyl 4-tert-butylpiperazine-1-carboxylate (CID 61068784) is phenyl 4-tert-butylpiperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-tert-butylpiperazine-1-carboxylate?
The canonical SMILES for phenyl 4-tert-butylpiperazine-1-carboxylate is CC(C)(C)N1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-tert-butylpiperazine-1-carboxylate?
The InChIKey is YAXZWSUKQYDVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)17-11-9-16(10-12-17)14(18)19-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3.
What are the key properties of phenyl 4-tert-butylpiperazine-1-carboxylate?
phenyl 4-tert-butylpiperazine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-tert-butylpiperazine-1-carboxylate is sourced from PubChem (CID 61068784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).