2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol

C15H26N6O — CID 19137446

IUPAC2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESNc1c(N2CCCCC2)ncnc1N1CCN(CCO)CC1
InChIInChI=1S/C15H26N6O/c16-13-14(20-4-2-1-3-5-20)17-12-18-15(13)21-8-6-19(7-9-21)10-11-22/h12,22H,1-11,16H2
InChIKeyCDAIDTOBQYEHNK-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.16
Rot. Bonds4

About 2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 19137446) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID19137446
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESNc1c(N2CCCCC2)ncnc1N1CCN(CCO)CC1
InChIInChI=1S/C15H26N6O/c16-13-14(20-4-2-1-3-5-20)17-12-18-15(13)21-8-6-19(7-9-21)10-11-22/h12,22H,1-11,16H2
InChIKeyCDAIDTOBQYEHNK-UHFFFAOYSA-N
XLogP0.16
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol (CID 19137446) is 2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol is Nc1c(N2CCCCC2)ncnc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is CDAIDTOBQYEHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c16-13-14(20-4-2-1-3-5-20)17-12-18-15(13)21-8-6-19(7-9-21)10-11-22/h12,22H,1-11,16H2.
What are the key properties of 2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 306.41 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 19137446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).