N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine

C15H26N4O — CID 133442218

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine
SMILESCC1CCN(CCNc2nccnc2OC(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-12(2)20-15-14(16-6-7-18-15)17-8-11-19-9-4-13(3)5-10-19/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,16,17)
InChIKeyVBGQYMQFDNQJAG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.41
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine

N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine (PubChem CID 133442218) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine
PubChem CID133442218
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine
SMILESCC1CCN(CCNc2nccnc2OC(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-12(2)20-15-14(16-6-7-18-15)17-8-11-19-9-4-13(3)5-10-19/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,16,17)
InChIKeyVBGQYMQFDNQJAG-UHFFFAOYSA-N
XLogP2.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine (CID 133442218) is N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine is CC1CCN(CCNc2nccnc2OC(C)C)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine?
The InChIKey is VBGQYMQFDNQJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)20-15-14(16-6-7-18-15)17-8-11-19-9-4-13(3)5-10-19/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine?
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 133442218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).