2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol

C15H25N3O3 — CID 82685023

IUPAC2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol
SMILESCC(C)c1ncc(N2CCC(OCCO)CC2)c(CO)n1
InChIInChI=1S/C15H25N3O3/c1-11(2)15-16-9-14(13(10-20)17-15)18-5-3-12(4-6-18)21-8-7-19/h9,11-12,19-20H,3-8,10H2,1-2H3
InChIKeyGAQJIIWVZVNBGI-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.07
Rot. Bonds6

About 2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol

2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol (PubChem CID 82685023) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol
PubChem CID82685023
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol
SMILESCC(C)c1ncc(N2CCC(OCCO)CC2)c(CO)n1
InChIInChI=1S/C15H25N3O3/c1-11(2)15-16-9-14(13(10-20)17-15)18-5-3-12(4-6-18)21-8-7-19/h9,11-12,19-20H,3-8,10H2,1-2H3
InChIKeyGAQJIIWVZVNBGI-UHFFFAOYSA-N
XLogP1.07
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63970979
[5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086536
4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine
CID 62088336
N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 103539456
[5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63635364
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
CID 82691588
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 82691845
1-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]azocane
CID 62088333
2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol
CID 83005053
1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol
CID 115996046
[5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62298929
2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691197

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol (CID 82685023) is 2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol is CC(C)c1ncc(N2CCC(OCCO)CC2)c(CO)n1.
What is the InChIKey of 2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol?
The InChIKey is GAQJIIWVZVNBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(2)15-16-9-14(13(10-20)17-15)18-5-3-12(4-6-18)21-8-7-19/h9,11-12,19-20H,3-8,10H2,1-2H3.
What are the key properties of 2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol?
2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol has a molecular weight of 295.38 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82685023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).