1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol

C30H32N6O2 — CID 10097785

IUPAC1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
SMILESOC(CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21
InChIInChI=1S/C30H32N6O2/c37-26(20-36-22-33-27-28(31-21-32-29(27)36)35-15-7-8-16-35)19-34-17-13-25(14-18-34)30(38,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-12,15-16,21-22,25-26,37-38H,13-14,17-20H2
InChIKeyIEYPQOYWERAGON-UHFFFAOYSA-N
MW508.63 g/mol
LogP3.63
Rot. Bonds8

About 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol

1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol (PubChem CID 10097785) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
PubChem CID10097785
Molecular FormulaC30H32N6O2
Molecular Weight508.63 g/mol
Exact Mass508.26
IUPAC Name1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol
SMILESOC(CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21
InChIInChI=1S/C30H32N6O2/c37-26(20-36-22-33-27-28(31-21-32-29(27)36)35-15-7-8-16-35)19-34-17-13-25(14-18-34)30(38,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-12,15-16,21-22,25-26,37-38H,13-14,17-20H2
InChIKeyIEYPQOYWERAGON-UHFFFAOYSA-N
XLogP3.63
TPSA92.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol?
The IUPAC name of 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol (CID 10097785) is 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol.
What is the SMILES notation for 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol?
The canonical SMILES for 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol is OC(CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-n3cccc3)ncnc21.
What is the InChIKey of 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol?
The InChIKey is IEYPQOYWERAGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c37-26(20-36-22-33-27-28(31-21-32-29(27)36)35-15-7-8-16-35)19-34-17-13-25(14-18-34)30(38,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-12,15-16,21-22,25-26,37-38H,13-14,17-20H2.
What are the key properties of 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol?
1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol has a molecular weight of 508.63 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3-(6-pyrrol-1-ylpurin-9-yl)propan-2-ol is sourced from PubChem (CID 10097785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).