6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol

C14H23N5O2 — CID 70739940

IUPAC6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol
SMILESOC1(CN2CCN(c3cnccn3)CC2)CNCCOC1
InChIInChI=1S/C14H23N5O2/c20-14(10-16-3-8-21-12-14)11-18-4-6-19(7-5-18)13-9-15-1-2-17-13/h1-2,9,16,20H,3-8,10-12H2
InChIKeyBPWPXXIFYTYFRV-UHFFFAOYSA-N
MW293.37 g/mol
LogP-1.05
Rot. Bonds3

About 6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol

6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol (PubChem CID 70739940) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol
PubChem CID70739940
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol
SMILESOC1(CN2CCN(c3cnccn3)CC2)CNCCOC1
InChIInChI=1S/C14H23N5O2/c20-14(10-16-3-8-21-12-14)11-18-4-6-19(7-5-18)13-9-15-1-2-17-13/h1-2,9,16,20H,3-8,10-12H2
InChIKeyBPWPXXIFYTYFRV-UHFFFAOYSA-N
XLogP-1.05
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol?
The IUPAC name of 6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol (CID 70739940) is 6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol.
What is the SMILES notation for 6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol?
The canonical SMILES for 6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol is OC1(CN2CCN(c3cnccn3)CC2)CNCCOC1.
What is the InChIKey of 6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol?
The InChIKey is BPWPXXIFYTYFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c20-14(10-16-3-8-21-12-14)11-18-4-6-19(7-5-18)13-9-15-1-2-17-13/h1-2,9,16,20H,3-8,10-12H2.
What are the key properties of 6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol?
6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol has a molecular weight of 293.37 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 70739940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).