N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine

C17H28N4O — CID 110090083

IUPACN-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine
SMILESCC(C)N1CCC(c2cncc(NC3CCCOC3)n2)CC1
InChIInChI=1S/C17H28N4O/c1-13(2)21-7-5-14(6-8-21)16-10-18-11-17(20-16)19-15-4-3-9-22-12-15/h10-11,13-15H,3-9,12H2,1-2H3,(H,19,20)
InChIKeyRZVSEZSNFYJXJO-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.66
Rot. Bonds4

About N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine

N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine (PubChem CID 110090083) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine
PubChem CID110090083
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine
SMILESCC(C)N1CCC(c2cncc(NC3CCCOC3)n2)CC1
InChIInChI=1S/C17H28N4O/c1-13(2)21-7-5-14(6-8-21)16-10-18-11-17(20-16)19-15-4-3-9-22-12-15/h10-11,13-15H,3-9,12H2,1-2H3,(H,19,20)
InChIKeyRZVSEZSNFYJXJO-UHFFFAOYSA-N
XLogP2.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine?
The IUPAC name of N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine (CID 110090083) is N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine.
What is the SMILES notation for N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine?
The canonical SMILES for N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine is CC(C)N1CCC(c2cncc(NC3CCCOC3)n2)CC1.
What is the InChIKey of N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine?
The InChIKey is RZVSEZSNFYJXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13(2)21-7-5-14(6-8-21)16-10-18-11-17(20-16)19-15-4-3-9-22-12-15/h10-11,13-15H,3-9,12H2,1-2H3,(H,19,20).
What are the key properties of N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine?
N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine has a molecular weight of 304.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-6-(1-propan-2-ylpiperidin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 110090083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).