[1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol

C23H29N5O3 — CID 71119321

IUPAC[1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol
SMILESCOc1ccc(-c2nc(N3CCCCC3CO)nc3c2ncn3C2CCCCO2)cc1
InChIInChI=1S/C23H29N5O3/c1-30-18-10-8-16(9-11-18)20-21-22(28(15-24-21)19-7-3-5-13-31-19)26-23(25-20)27-12-4-2-6-17(27)14-29/h8-11,15,17,19,29H,2-7,12-14H2,1H3
InChIKeyACTBUOCJTOXZMW-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.55
Rot. Bonds5

About [1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol

[1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol (PubChem CID 71119321) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is [1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol
PubChem CID71119321
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name[1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol
SMILESCOc1ccc(-c2nc(N3CCCCC3CO)nc3c2ncn3C2CCCCO2)cc1
InChIInChI=1S/C23H29N5O3/c1-30-18-10-8-16(9-11-18)20-21-22(28(15-24-21)19-7-3-5-13-31-19)26-23(25-20)27-12-4-2-6-17(27)14-29/h8-11,15,17,19,29H,2-7,12-14H2,1H3
InChIKeyACTBUOCJTOXZMW-UHFFFAOYSA-N
XLogP3.55
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol (CID 71119321) is [1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol is COc1ccc(-c2nc(N3CCCCC3CO)nc3c2ncn3C2CCCCO2)cc1.
What is the InChIKey of [1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol?
The InChIKey is ACTBUOCJTOXZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-30-18-10-8-16(9-11-18)20-21-22(28(15-24-21)19-7-3-5-13-31-19)26-23(25-20)27-12-4-2-6-17(27)14-29/h8-11,15,17,19,29H,2-7,12-14H2,1H3.
What are the key properties of [1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol?
[1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol has a molecular weight of 423.52 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-methoxyphenyl)-9-(oxan-2-yl)purin-2-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 71119321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).