4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol

C16H17N5O — CID 154570313

IUPAC4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol
SMILESOC1(c2ccccc2)CCN(c2ncc3cn[nH]c3n2)CC1
InChIInChI=1S/C16H17N5O/c22-16(13-4-2-1-3-5-13)6-8-21(9-7-16)15-17-10-12-11-18-20-14(12)19-15/h1-5,10-11,22H,6-9H2,(H,17,18,19,20)
InChIKeyHPQUFCMJBRRUKB-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.84
Rot. Bonds2

About 4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol

4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol (PubChem CID 154570313) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol
PubChem CID154570313
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol
SMILESOC1(c2ccccc2)CCN(c2ncc3cn[nH]c3n2)CC1
InChIInChI=1S/C16H17N5O/c22-16(13-4-2-1-3-5-13)6-8-21(9-7-16)15-17-10-12-11-18-20-14(12)19-15/h1-5,10-11,22H,6-9H2,(H,17,18,19,20)
InChIKeyHPQUFCMJBRRUKB-UHFFFAOYSA-N
XLogP1.84
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol?
The IUPAC name of 4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol (CID 154570313) is 4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol.
What is the SMILES notation for 4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol?
The canonical SMILES for 4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol is OC1(c2ccccc2)CCN(c2ncc3cn[nH]c3n2)CC1.
What is the InChIKey of 4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol?
The InChIKey is HPQUFCMJBRRUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-16(13-4-2-1-3-5-13)6-8-21(9-7-16)15-17-10-12-11-18-20-14(12)19-15/h1-5,10-11,22H,6-9H2,(H,17,18,19,20).
What are the key properties of 4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol?
4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol has a molecular weight of 295.35 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperidin-4-ol is sourced from PubChem (CID 154570313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).