tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate

C15H26N4O2 — CID 135025372

IUPACtert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate
SMILESCc1ccn(CCN2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H26N4O2/c1-13-5-6-19(16-13)12-9-17-7-10-18(11-8-17)14(20)21-15(2,3)4/h5-6H,7-12H2,1-4H3
InChIKeyISKTVHCSMMEOCI-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.74
Rot. Bonds3

About tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate (PubChem CID 135025372) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate
PubChem CID135025372
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate
SMILESCc1ccn(CCN2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H26N4O2/c1-13-5-6-19(16-13)12-9-17-7-10-18(11-8-17)14(20)21-15(2,3)4/h5-6H,7-12H2,1-4H3
InChIKeyISKTVHCSMMEOCI-UHFFFAOYSA-N
XLogP1.74
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate (CID 135025372) is tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate is Cc1ccn(CCN2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is ISKTVHCSMMEOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-13-5-6-19(16-13)12-9-17-7-10-18(11-8-17)14(20)21-15(2,3)4/h5-6H,7-12H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 135025372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).