4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine

C14H24N4O — CID 138645819

IUPAC4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine
SMILESNC1=C(N2CCN(C3CCOCC3)CC2)C=CNC1
InChIInChI=1S/C14H24N4O/c15-13-11-16-4-1-14(13)18-7-5-17(6-8-18)12-2-9-19-10-3-12/h1,4,12,16H,2-3,5-11,15H2
InChIKeyXDQQBPPZUXCWAC-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.07
Rot. Bonds2

About 4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine

4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine (PubChem CID 138645819) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine.

Molecular Properties

Compound Name4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine
PubChem CID138645819
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine
SMILESNC1=C(N2CCN(C3CCOCC3)CC2)C=CNC1
InChIInChI=1S/C14H24N4O/c15-13-11-16-4-1-14(13)18-7-5-17(6-8-18)12-2-9-19-10-3-12/h1,4,12,16H,2-3,5-11,15H2
InChIKeyXDQQBPPZUXCWAC-UHFFFAOYSA-N
XLogP0.07
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine?
The IUPAC name of 4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine (CID 138645819) is 4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine.
What is the SMILES notation for 4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine?
The canonical SMILES for 4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine is NC1=C(N2CCN(C3CCOCC3)CC2)C=CNC1.
What is the InChIKey of 4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine?
The InChIKey is XDQQBPPZUXCWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c15-13-11-16-4-1-14(13)18-7-5-17(6-8-18)12-2-9-19-10-3-12/h1,4,12,16H,2-3,5-11,15H2.
What are the key properties of 4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine?
4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine has a molecular weight of 264.37 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxan-4-yl)piperazin-1-yl]-1,2-dihydropyridin-3-amine is sourced from PubChem (CID 138645819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).