[3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol

C28H32N6O2 — CID 25070882

IUPAC[3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccccc5)CC4)c3n2)c1
InChIInChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
InChIKeyNXFHEWHRZWCTEI-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.66
Rot. Bonds6

About [3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol

[3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol (PubChem CID 25070882) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is [3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol
PubChem CID25070882
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name[3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccccc5)CC4)c3n2)c1
InChIInChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2
InChIKeyNXFHEWHRZWCTEI-UHFFFAOYSA-N
XLogP3.66
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol?
The IUPAC name of [3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol (CID 25070882) is [3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol is OCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccccc5)CC4)c3n2)c1.
What is the InChIKey of [3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol?
The InChIKey is NXFHEWHRZWCTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c35-19-22-7-4-8-23(17-22)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)24-9-11-32(12-10-24)18-21-5-2-1-3-6-21/h1-8,17,20,24,35H,9-16,18-19H2.
What are the key properties of [3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol?
[3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol has a molecular weight of 484.60 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[9-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpurin-2-yl]phenyl]methanol is sourced from PubChem (CID 25070882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).