(1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane

C19H31N5O — CID 99622770

IUPAC(1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane
SMILESCC(C)Oc1cncc(N2CCN(C3C[C@H]4CC[C@@H](C3)N4C)CC2)n1
InChIInChI=1S/C19H31N5O/c1-14(2)25-19-13-20-12-18(21-19)24-8-6-23(7-9-24)17-10-15-4-5-16(11-17)22(15)3/h12-17H,4-11H2,1-3H3/t15-,16+,17?
InChIKeyLEWVBNFAHUEYBP-SJPCQFCGSA-N
MW345.49 g/mol
LogP2.01
Rot. Bonds4

About (1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane

(1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane (PubChem CID 99622770) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane
PubChem CID99622770
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane
SMILESCC(C)Oc1cncc(N2CCN(C3C[C@H]4CC[C@@H](C3)N4C)CC2)n1
InChIInChI=1S/C19H31N5O/c1-14(2)25-19-13-20-12-18(21-19)24-8-6-23(7-9-24)17-10-15-4-5-16(11-17)22(15)3/h12-17H,4-11H2,1-3H3/t15-,16+,17?
InChIKeyLEWVBNFAHUEYBP-SJPCQFCGSA-N
XLogP2.01
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane (CID 99622770) is (1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane is CC(C)Oc1cncc(N2CCN(C3C[C@H]4CC[C@@H](C3)N4C)CC2)n1.
What is the InChIKey of (1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane?
The InChIKey is LEWVBNFAHUEYBP-SJPCQFCGSA-N. The full InChI is InChI=1S/C19H31N5O/c1-14(2)25-19-13-20-12-18(21-19)24-8-6-23(7-9-24)17-10-15-4-5-16(11-17)22(15)3/h12-17H,4-11H2,1-3H3/t15-,16+,17?.
What are the key properties of (1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane?
(1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane has a molecular weight of 345.49 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-methyl-3-[4-(6-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 99622770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).