N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine

C16H28N4O — CID 133468910

IUPACN-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine
SMILESCCCCN1CCC(Nc2nccnc2OC(C)C)CC1
InChIInChI=1S/C16H28N4O/c1-4-5-10-20-11-6-14(7-12-20)19-15-16(21-13(2)3)18-9-8-17-15/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,17,19)
InChIKeyXODJFQOBHNKHSA-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.94
Rot. Bonds7

About N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine

N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine (PubChem CID 133468910) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine
PubChem CID133468910
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine
SMILESCCCCN1CCC(Nc2nccnc2OC(C)C)CC1
InChIInChI=1S/C16H28N4O/c1-4-5-10-20-11-6-14(7-12-20)19-15-16(21-13(2)3)18-9-8-17-15/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,17,19)
InChIKeyXODJFQOBHNKHSA-UHFFFAOYSA-N
XLogP2.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine (CID 133468910) is N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine is CCCCN1CCC(Nc2nccnc2OC(C)C)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine?
The InChIKey is XODJFQOBHNKHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-5-10-20-11-6-14(7-12-20)19-15-16(21-13(2)3)18-9-8-17-15/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,17,19).
What are the key properties of N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine?
N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-3-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 133468910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).