tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate

C13H27N3O2 — CID 107243537

IUPACtert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate
SMILESCCNCCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-5-14-6-7-15-8-10-16(11-9-15)12(17)18-13(2,3)4/h14H,5-11H2,1-4H3
InChIKeyNZMJWXVXHFZYSV-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.15
Rot. Bonds4

About tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate (PubChem CID 107243537) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate
PubChem CID107243537
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate
SMILESCCNCCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-5-14-6-7-15-8-10-16(11-9-15)12(17)18-13(2,3)4/h14H,5-11H2,1-4H3
InChIKeyNZMJWXVXHFZYSV-UHFFFAOYSA-N
XLogP1.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[2-(butylamino)ethyl]piperazine-1-carboxylate
CID 107243538
tert-butyl 4-[2-(pentylamino)ethyl]piperazine-1-carboxylate
CID 103916751
tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate
CID 107243510
tert-butyl 4-[2-(ethoxycarbonylamino)ethyl]piperazine-1-carboxylate
CID 110397582
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-[2-(2-methylpentan-3-ylamino)ethyl]piperazine-1-carboxylate
CID 103781396
tert-butyl 4-[2-(ethylamino)ethyl]piperidine-1-carboxylate
CID 71635409
tert-butyl 4-[3-(2-ethylbutylamino)propyl]piperazine-1-carboxylate
CID 107243487
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517
tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid
CID 170976729

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate (CID 107243537) is tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate is CCNCCN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate?
The InChIKey is NZMJWXVXHFZYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-14-6-7-15-8-10-16(11-9-15)12(17)18-13(2,3)4/h14H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate has a molecular weight of 257.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 107243537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).