4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one

C11H17N3O3 — CID 136958056

IUPAC4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(OCCO)CC2)nc[nH]1
InChIInChI=1S/C11H17N3O3/c15-5-6-17-9-1-3-14(4-2-9)10-7-11(16)13-8-12-10/h7-9,15H,1-6H2,(H,12,13,16)
InChIKeyCMFSPCKDMSDRSW-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.25
Rot. Bonds4

About 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one

4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136958056) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136958056
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC(OCCO)CC2)nc[nH]1
InChIInChI=1S/C11H17N3O3/c15-5-6-17-9-1-3-14(4-2-9)10-7-11(16)13-8-12-10/h7-9,15H,1-6H2,(H,12,13,16)
InChIKeyCMFSPCKDMSDRSW-UHFFFAOYSA-N
XLogP-0.25
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-Hydroxypiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957342
4-[3-(2-hydroxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730527
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783253
4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957477
4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957566
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 136958019
4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136958040
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136958054
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136958055
4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
CID 136978190
4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136978741
4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136979795

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136958056) is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCC(OCCO)CC2)nc[nH]1.
What is the InChIKey of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is CMFSPCKDMSDRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-5-6-17-9-1-3-14(4-2-9)10-7-11(16)13-8-12-10/h7-9,15H,1-6H2,(H,12,13,16).
What are the key properties of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one?
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).