4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine

C13H20N4O — CID 130280275

IUPAC4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine
SMILESCC1CN(c2ccncc2N)CCN1C1COC1
InChIInChI=1S/C13H20N4O/c1-10-7-16(13-2-3-15-6-12(13)14)4-5-17(10)11-8-18-9-11/h2-3,6,10-11H,4-5,7-9,14H2,1H3
InChIKeyYRMLEANRUYZQBU-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.57
Rot. Bonds2

About 4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine

4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine (PubChem CID 130280275) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine
PubChem CID130280275
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine
SMILESCC1CN(c2ccncc2N)CCN1C1COC1
InChIInChI=1S/C13H20N4O/c1-10-7-16(13-2-3-15-6-12(13)14)4-5-17(10)11-8-18-9-11/h2-3,6,10-11H,4-5,7-9,14H2,1H3
InChIKeyYRMLEANRUYZQBU-UHFFFAOYSA-N
XLogP0.57
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine (CID 130280275) is 4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine is CC1CN(c2ccncc2N)CCN1C1COC1.
What is the InChIKey of 4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is YRMLEANRUYZQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-7-16(13-2-3-15-6-12(13)14)4-5-17(10)11-8-18-9-11/h2-3,6,10-11H,4-5,7-9,14H2,1H3.
What are the key properties of 4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine?
4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 248.33 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 130280275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).