2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol

C20H33N5O2 — CID 70204766

IUPAC2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1.OCCC1CCCCN1c1ncnc2[nH]ccc12
InChIInChI=1S/C13H18N4O.C7H15NO/c18-8-5-10-3-1-2-7-17(10)13-11-4-6-14-12(11)15-9-16-13;9-6-4-7-3-1-2-5-8-7/h4,6,9-10,18H,1-3,5,7-8H2,(H,14,15,16);7-9H,1-6H2
InChIKeyQVLIVYDBGURBPU-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.21
Rot. Bonds5

About 2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol

2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol (PubChem CID 70204766) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol
PubChem CID70204766
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1.OCCC1CCCCN1c1ncnc2[nH]ccc12
InChIInChI=1S/C13H18N4O.C7H15NO/c18-8-5-10-3-1-2-7-17(10)13-11-4-6-14-12(11)15-9-16-13;9-6-4-7-3-1-2-5-8-7/h4,6,9-10,18H,1-3,5,7-8H2,(H,14,15,16);7-9H,1-6H2
InChIKeyQVLIVYDBGURBPU-UHFFFAOYSA-N
XLogP2.21
TPSA97.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol with MolForge

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Related Compounds

2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol
CID 8008870
4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 67251949
[1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol
CID 116633977
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;hydrobromide
CID 158942774
2-[1-(6-amino-5-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80767375
2-[1-[(2-fluorophenyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 70717035
[(6S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,6-dihydro-2H-pyridin-6-yl]methanol
CID 175668023
2-[(2R)-1-[(4-methylphenyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 98769968
[1-(6-aminoquinazolin-4-yl)azepan-2-yl]methanol
CID 116633942
2-[(2S)-piperidin-2-yl]ethanol;hydrochloride
CID 53487138
1-(piperidin-2-ylmethyl)-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]urea
CID 67986399
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol
CID 102687014

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol (CID 70204766) is 2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol is OCCC1CCCCN1.OCCC1CCCCN1c1ncnc2[nH]ccc12.
What is the InChIKey of 2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol?
The InChIKey is QVLIVYDBGURBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.C7H15NO/c18-8-5-10-3-1-2-7-17(10)13-11-4-6-14-12(11)15-9-16-13;9-6-4-7-3-1-2-5-8-7/h4,6,9-10,18H,1-3,5,7-8H2,(H,14,15,16);7-9H,1-6H2.
What are the key properties of 2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol?
2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol has a molecular weight of 375.52 g/mol, XLogP of 2.21, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-ylethanol;2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 70204766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).