1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol

C11H19N3O — CID 123410900

IUPAC1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol
SMILESCCC1C=NC(N2CCC(O)CC2)=NC1
InChIInChI=1S/C11H19N3O/c1-2-9-7-12-11(13-8-9)14-5-3-10(15)4-6-14/h7,9-10,15H,2-6,8H2,1H3
InChIKeyBQMUACIYXCVLPV-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.91
Rot. Bonds1

About 1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol

1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol (PubChem CID 123410900) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol
PubChem CID123410900
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol
SMILESCCC1C=NC(N2CCC(O)CC2)=NC1
InChIInChI=1S/C11H19N3O/c1-2-9-7-12-11(13-8-9)14-5-3-10(15)4-6-14/h7,9-10,15H,2-6,8H2,1H3
InChIKeyBQMUACIYXCVLPV-UHFFFAOYSA-N
XLogP0.91
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Ethyl-2,5-dihydropyrimidin-2-yl)piperidin-4-ol
CID 123430806
N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide
CID 163764373
[N-(4-hydroxypiperidine-1-carboximidoyl)-C-propan-2-ylcarbonimidoyl]oxidanium
CID 164061209
N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide
CID 174043449
4-hydroxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 62367630
4-hydroxy-3-methyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 114679004
4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide
CID 114679007
N'-ethyl-4-hydroxy-3-methylpiperidine-1-carboximidamide
CID 114679010
4-hydroxy-N',3-dimethylpiperidine-1-carboximidamide
CID 114679011
(NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide
CID 167480759

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol?
The IUPAC name of 1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol (CID 123410900) is 1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol?
The canonical SMILES for 1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol is CCC1C=NC(N2CCC(O)CC2)=NC1.
What is the InChIKey of 1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol?
The InChIKey is BQMUACIYXCVLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-9-7-12-11(13-8-9)14-5-3-10(15)4-6-14/h7,9-10,15H,2-6,8H2,1H3.
What are the key properties of 1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol?
1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol has a molecular weight of 209.29 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol is sourced from PubChem (CID 123410900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).