[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone

C12H17N3O2 — CID 113434939

IUPAC[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCCC(CCO)C1
InChIInChI=1S/C12H17N3O2/c16-5-3-10-2-1-4-15(8-10)12(17)11-6-13-9-14-7-11/h6-7,9-10,16H,1-5,8H2
InChIKeyGUPCQELOANERNC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.71
Rot. Bonds3

About [3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone

[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 113434939) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID113434939
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCCC(CCO)C1
InChIInChI=1S/C12H17N3O2/c16-5-3-10-2-1-4-15(8-10)12(17)11-6-13-9-14-7-11/h6-7,9-10,16H,1-5,8H2
InChIKeyGUPCQELOANERNC-UHFFFAOYSA-N
XLogP0.71
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922928
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359
[3-(2-hydroxyethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186795
(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922724
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
4-[3-(2-hydroxyethyl)piperidine-1-carbonyl]benzenecarbothioamide
CID 107227391
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705
(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
5-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 55064660

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone (CID 113434939) is [3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone is O=C(c1cncnc1)N1CCCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is GUPCQELOANERNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-5-3-10-2-1-4-15(8-10)12(17)11-6-13-9-14-7-11/h6-7,9-10,16H,1-5,8H2.
What are the key properties of [3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 235.29 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 113434939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).