(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol

C11H14N4O — CID 67250028

IUPAC(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol
SMILESO[C@H]1CCCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C11H14N4O/c16-8-2-1-5-15(6-8)11-9-3-4-12-10(9)13-7-14-11/h3-4,7-8,16H,1-2,5-6H2,(H,12,13,14)/t8-/m0/s1
InChIKeyUJTWZEIHVBHEQZ-QMMMGPOBSA-N
MW218.26 g/mol
LogP0.92
Rot. Bonds1

About (3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol

(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol (PubChem CID 67250028) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol
PubChem CID67250028
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol
SMILESO[C@H]1CCCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C11H14N4O/c16-8-2-1-5-15(6-8)11-9-3-4-12-10(9)13-7-14-11/h3-4,7-8,16H,1-2,5-6H2,(H,12,13,14)/t8-/m0/s1
InChIKeyUJTWZEIHVBHEQZ-QMMMGPOBSA-N
XLogP0.92
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol (CID 67250028) is (3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol is O[C@H]1CCCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of (3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol?
The InChIKey is UJTWZEIHVBHEQZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N4O/c16-8-2-1-5-15(6-8)11-9-3-4-12-10(9)13-7-14-11/h3-4,7-8,16H,1-2,5-6H2,(H,12,13,14)/t8-/m0/s1.
What are the key properties of (3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol?
(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol has a molecular weight of 218.26 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 67250028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).