tert-butyl N-(4-methoxypiperazin-1-yl)carbamate

C10H21N3O3 — CID 59857801

IUPACtert-butyl N-(4-methoxypiperazin-1-yl)carbamate
SMILESCON1CCN(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C10H21N3O3/c1-10(2,3)16-9(14)11-12-5-7-13(15-4)8-6-12/h5-8H2,1-4H3,(H,11,14)
InChIKeyJHXCFNCDUSREMB-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.61
Rot. Bonds2

About tert-butyl N-(4-methoxypiperazin-1-yl)carbamate

tert-butyl N-(4-methoxypiperazin-1-yl)carbamate (PubChem CID 59857801) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is tert-butyl N-(4-methoxypiperazin-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methoxypiperazin-1-yl)carbamate
PubChem CID59857801
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Nametert-butyl N-(4-methoxypiperazin-1-yl)carbamate
SMILESCON1CCN(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C10H21N3O3/c1-10(2,3)16-9(14)11-12-5-7-13(15-4)8-6-12/h5-8H2,1-4H3,(H,11,14)
InChIKeyJHXCFNCDUSREMB-UHFFFAOYSA-N
XLogP0.61
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
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tert-butyl 4-(2-chloropropanoylamino)piperazine-1-carboxylate
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tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate
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tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methoxypiperazin-1-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methoxypiperazin-1-yl)carbamate (CID 59857801) is tert-butyl N-(4-methoxypiperazin-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methoxypiperazin-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methoxypiperazin-1-yl)carbamate is CON1CCN(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(4-methoxypiperazin-1-yl)carbamate?
The InChIKey is JHXCFNCDUSREMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(2,3)16-9(14)11-12-5-7-13(15-4)8-6-12/h5-8H2,1-4H3,(H,11,14).
What are the key properties of tert-butyl N-(4-methoxypiperazin-1-yl)carbamate?
tert-butyl N-(4-methoxypiperazin-1-yl)carbamate has a molecular weight of 231.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methoxypiperazin-1-yl)carbamate is sourced from PubChem (CID 59857801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).