tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate

C15H31N3O2 — CID 166459047

IUPACtert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate
SMILESCNCCC(C)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-13(6-7-16-5)12-17-8-10-18(11-9-17)14(19)20-15(2,3)4/h13,16H,6-12H2,1-5H3
InChIKeyRLFKQHZMKQLLJI-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.78
Rot. Bonds5

About tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate

tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate (PubChem CID 166459047) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate
PubChem CID166459047
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nametert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate
SMILESCNCCC(C)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-13(6-7-16-5)12-17-8-10-18(11-9-17)14(19)20-15(2,3)4/h13,16H,6-12H2,1-5H3
InChIKeyRLFKQHZMKQLLJI-UHFFFAOYSA-N
XLogP1.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43251933
tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 53350324
tert-butyl 4-[(2S)-3-methoxy-2-methyl-3-oxopropyl]piperazine-1-carboxylate
CID 25418682
tert-butyl 4-(3-amino-2-methylpropyl)-1,4-diazepane-1-carboxylate
CID 43252008
tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate
CID 82276947
tert-butyl 4-[(2R)-3-chloro-2-hydroxypropyl]piperazine-1-carboxylate
CID 66954028
tert-butyl 4-[2-(5-methylhexan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 107243559
tert-butyl 4-(3-ethoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
CID 68759858
tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851
tert-butyl 4-[2-(2-methylpentan-3-ylamino)ethyl]piperazine-1-carboxylate
CID 103781396
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate (CID 166459047) is tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate is CNCCC(C)CN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate?
The InChIKey is RLFKQHZMKQLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(6-7-16-5)12-17-8-10-18(11-9-17)14(19)20-15(2,3)4/h13,16H,6-12H2,1-5H3.
What are the key properties of tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate?
tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate has a molecular weight of 285.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-methyl-4-(methylamino)butyl]piperazine-1-carboxylate is sourced from PubChem (CID 166459047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).