N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine

C11H25N3O — CID 146649400

IUPACN-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine
SMILESCOCCN1CCN(NC(C)(C)C)CC1
InChIInChI=1S/C11H25N3O/c1-11(2,3)12-14-7-5-13(6-8-14)9-10-15-4/h12H,5-10H2,1-4H3
InChIKeyQMZXAHRLFKRTDB-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.55
Rot. Bonds4

About N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine

N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine (PubChem CID 146649400) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine
PubChem CID146649400
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine
SMILESCOCCN1CCN(NC(C)(C)C)CC1
InChIInChI=1S/C11H25N3O/c1-11(2,3)12-14-7-5-13(6-8-14)9-10-15-4/h12H,5-10H2,1-4H3
InChIKeyQMZXAHRLFKRTDB-UHFFFAOYSA-N
XLogP0.55
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine?
The IUPAC name of N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine (CID 146649400) is N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine?
The canonical SMILES for N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine is COCCN1CCN(NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine?
The InChIKey is QMZXAHRLFKRTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-11(2,3)12-14-7-5-13(6-8-14)9-10-15-4/h12H,5-10H2,1-4H3.
What are the key properties of N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine?
N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine has a molecular weight of 215.34 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-methoxyethyl)piperazin-1-amine is sourced from PubChem (CID 146649400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).