6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine

C14H23N4O2+ — CID 142562030

IUPAC6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine
SMILESCCOc1[nH+]c(N)ccc1N1CCN(C2COC2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-20-14-12(3-4-13(15)16-14)18-7-5-17(6-8-18)11-9-19-10-11/h3-4,11H,2,5-10H2,1H3,(H2,15,16)/p+1
InChIKeyLBAHYWOEFYICCN-UHFFFAOYSA-O
MW279.36 g/mol
LogP0.00
Rot. Bonds4

About 6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine

6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine (PubChem CID 142562030) has the molecular formula C14H23N4O2+ and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine.

Molecular Properties

Compound Name6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine
PubChem CID142562030
Molecular FormulaC14H23N4O2+
Molecular Weight279.36 g/mol
Exact Mass279.18
IUPAC Name6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine
SMILESCCOc1[nH+]c(N)ccc1N1CCN(C2COC2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-20-14-12(3-4-13(15)16-14)18-7-5-17(6-8-18)11-9-19-10-11/h3-4,11H,2,5-10H2,1H3,(H2,15,16)/p+1
InChIKeyLBAHYWOEFYICCN-UHFFFAOYSA-O
XLogP0.00
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine
CID 138525322
1-(4-nitro-2-propoxyphenyl)-4-(oxetan-3-yl)piperazine
CID 118185265
5-(2-methylbutan-2-yl)-2-[4-(oxetan-3-yl)piperazin-1-yl]benzonitrile
CID 129253704
acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
CID 145054361
5-tert-butyl-2-[4-(oxetan-3-yl)piperazin-1-yl]benzonitrile
CID 121300475
4-[4-(4-amino-2-ethoxyphenyl)piperazin-1-yl]-3-methylaniline
CID 118013476
4-(4-cyclopropylpiperazin-1-yl)-3-methylaniline
CID 61440602
1-(4-ethyl-2-fluoro-6-methoxyphenyl)-4-(oxetan-3-yl)piperazine
CID 121246738
(1E)-1-[2-[(E)-1-cyanoprop-1-enyl]iminoethylidene]-2-[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]guanidine
CID 142562032
6-ethoxypyridin-1-ium-2-amine
CID 6946399
4-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethoxy]pyridin-2-amine
CID 155587706
2-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
CID 175704639

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine?
The IUPAC name of 6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine (CID 142562030) is 6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine.
What is the SMILES notation for 6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine?
The canonical SMILES for 6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine is CCOc1[nH+]c(N)ccc1N1CCN(C2COC2)CC1.
What is the InChIKey of 6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine?
The InChIKey is LBAHYWOEFYICCN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N4O2/c1-2-20-14-12(3-4-13(15)16-14)18-7-5-17(6-8-18)11-9-19-10-11/h3-4,11H,2,5-10H2,1H3,(H2,15,16)/p+1.
What are the key properties of 6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine?
6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine has a molecular weight of 279.36 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-1-ium-2-amine is sourced from PubChem (CID 142562030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).