N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine

C14H24N4O — CID 122182210

IUPACN,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1cncc(N2CCN(C)CC2)c1
InChIInChI=1S/C14H24N4O/c1-16(2)8-9-19-14-10-13(11-15-12-14)18-6-4-17(3)5-7-18/h10-12H,4-9H2,1-3H3
InChIKeyJPGAGIAHIFFHND-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.77
Rot. Bonds5

About N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine

N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine (PubChem CID 122182210) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine
PubChem CID122182210
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1cncc(N2CCN(C)CC2)c1
InChIInChI=1S/C14H24N4O/c1-16(2)8-9-19-14-10-13(11-15-12-14)18-6-4-17(3)5-7-18/h10-12H,4-9H2,1-3H3
InChIKeyJPGAGIAHIFFHND-UHFFFAOYSA-N
XLogP0.77
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine (CID 122182210) is N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine is CN(C)CCOc1cncc(N2CCN(C)CC2)c1.
What is the InChIKey of N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine?
The InChIKey is JPGAGIAHIFFHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-16(2)8-9-19-14-10-13(11-15-12-14)18-6-4-17(3)5-7-18/h10-12H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine?
N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 122182210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).