5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine

C12H20N4O — CID 118271335

IUPAC5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
SMILESCN1CCN(CCOc2ccc(N)nc2)CC1
InChIInChI=1S/C12H20N4O/c1-15-4-6-16(7-5-15)8-9-17-11-2-3-12(13)14-10-11/h2-3,10H,4-9H2,1H3,(H2,13,14)
InChIKeyMASGQJBPOAMLAO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.29
Rot. Bonds4

About 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine

5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine (PubChem CID 118271335) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
PubChem CID118271335
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
SMILESCN1CCN(CCOc2ccc(N)nc2)CC1
InChIInChI=1S/C12H20N4O/c1-15-4-6-16(7-5-15)8-9-17-11-2-3-12(13)14-10-11/h2-3,10H,4-9H2,1H3,(H2,13,14)
InChIKeyMASGQJBPOAMLAO-UHFFFAOYSA-N
XLogP0.29
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde
CID 82892009
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine
CID 86567481
1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride
CID 6457262
5-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 71565292
5-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-2-amine
CID 43461954
potassium trifluoro-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]boranuide
CID 82887204
5-octoxypyridin-2-amine
CID 43126983
1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79795763
2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile
CID 43288567
7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 67252366

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine?
The IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine (CID 118271335) is 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine?
The canonical SMILES for 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine is CN1CCN(CCOc2ccc(N)nc2)CC1.
What is the InChIKey of 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine?
The InChIKey is MASGQJBPOAMLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-4-6-16(7-5-15)8-9-17-11-2-3-12(13)14-10-11/h2-3,10H,4-9H2,1H3,(H2,13,14).
What are the key properties of 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine?
5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 118271335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).