tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate

C15H28N2O3 — CID 66696083

IUPACtert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate
SMILESCOCC1(CN2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-9-7-16(8-10-17)11-15(5-6-15)12-19-4/h5-12H2,1-4H3
InChIKeyIXTZNNDRHKDEGL-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate

tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate (PubChem CID 66696083) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate
PubChem CID66696083
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate
SMILESCOCC1(CN2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-9-7-16(8-10-17)11-15(5-6-15)12-19-4/h5-12H2,1-4H3
InChIKeyIXTZNNDRHKDEGL-UHFFFAOYSA-N
XLogP1.97
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate (CID 66696083) is tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate is COCC1(CN2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate?
The InChIKey is IXTZNNDRHKDEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-9-7-16(8-10-17)11-15(5-6-15)12-19-4/h5-12H2,1-4H3.
What are the key properties of tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate?
tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 66696083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).