4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine

C18H29N7O — CID 155522765

IUPAC4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine
SMILESCCN1CCN(c2ncnc3c2ncn3CCCN2CCOCC2)CC1
InChIInChI=1S/C18H29N7O/c1-2-22-6-8-24(9-7-22)17-16-18(20-14-19-17)25(15-21-16)5-3-4-23-10-12-26-13-11-23/h14-15H,2-13H2,1H3
InChIKeyHKNFHSPSBCYFGM-UHFFFAOYSA-N
MW359.48 g/mol
LogP0.69
Rot. Bonds6

About 4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine

4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine (PubChem CID 155522765) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine
PubChem CID155522765
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine
SMILESCCN1CCN(c2ncnc3c2ncn3CCCN2CCOCC2)CC1
InChIInChI=1S/C18H29N7O/c1-2-22-6-8-24(9-7-22)17-16-18(20-14-19-17)25(15-21-16)5-3-4-23-10-12-26-13-11-23/h14-15H,2-13H2,1H3
InChIKeyHKNFHSPSBCYFGM-UHFFFAOYSA-N
XLogP0.69
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine?
The IUPAC name of 4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine (CID 155522765) is 4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine is CCN1CCN(c2ncnc3c2ncn3CCCN2CCOCC2)CC1.
What is the InChIKey of 4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine?
The InChIKey is HKNFHSPSBCYFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-2-22-6-8-24(9-7-22)17-16-18(20-14-19-17)25(15-21-16)5-3-4-23-10-12-26-13-11-23/h14-15H,2-13H2,1H3.
What are the key properties of 4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine?
4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine has a molecular weight of 359.48 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-(4-ethylpiperazin-1-yl)purin-9-yl]propyl]morpholine is sourced from PubChem (CID 155522765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).