N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine

C12H27N3O — CID 63265963

IUPACN-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCN(C)CCN1CCNCC1
InChIInChI=1S/C12H27N3O/c1-12(2)16-11-10-14(3)8-9-15-6-4-13-5-7-15/h12-13H,4-11H2,1-3H3
InChIKeyNTJPQUMPIBJMSP-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.25
Rot. Bonds7

About N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine

N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 63265963) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID63265963
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCN(C)CCN1CCNCC1
InChIInChI=1S/C12H27N3O/c1-12(2)16-11-10-14(3)8-9-15-6-4-13-5-7-15/h12-13H,4-11H2,1-3H3
InChIKeyNTJPQUMPIBJMSP-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine (CID 63265963) is N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine is CC(C)OCCN(C)CCN1CCNCC1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is NTJPQUMPIBJMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-12(2)16-11-10-14(3)8-9-15-6-4-13-5-7-15/h12-13H,4-11H2,1-3H3.
What are the key properties of N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine?
N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine has a molecular weight of 229.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-(2-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 63265963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).