2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride

C17H20ClN3O — CID 6602805

IUPAC2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
SMILESCCc1nc(N2CCCCC2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C17H19N3O.ClH/c1-2-14-18-15-12-8-4-5-9-13(12)21-16(15)17(19-14)20-10-6-3-7-11-20;/h4-5,8-9H,2-3,6-7,10-11H2,1H3;1H
InChIKeyKHNUYEOWWDGRFN-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.35
Rot. Bonds2

About 2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride

2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride (PubChem CID 6602805) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
PubChem CID6602805
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
SMILESCCc1nc(N2CCCCC2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C17H19N3O.ClH/c1-2-14-18-15-12-8-4-5-9-13(12)21-16(15)17(19-14)20-10-6-3-7-11-20;/h4-5,8-9H,2-3,6-7,10-11H2,1H3;1H
InChIKeyKHNUYEOWWDGRFN-UHFFFAOYSA-N
XLogP4.35
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride?
The IUPAC name of 2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride (CID 6602805) is 2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride is CCc1nc(N2CCCCC2)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride?
The InChIKey is KHNUYEOWWDGRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.ClH/c1-2-14-18-15-12-8-4-5-9-13(12)21-16(15)17(19-14)20-10-6-3-7-11-20;/h4-5,8-9H,2-3,6-7,10-11H2,1H3;1H.
What are the key properties of 2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride?
2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-piperidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride is sourced from PubChem (CID 6602805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).