1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one

C10H16N4O2 — CID 43417507

IUPAC1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(O)CC1)n1cncn1
InChIInChI=1S/C10H16N4O2/c1-8(14-7-11-6-12-14)10(16)13-4-2-9(15)3-5-13/h6-9,15H,2-5H2,1H3
InChIKeyXJBBYDTYTVDASL-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.18
Rot. Bonds2

About 1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one

1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 43417507) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID43417507
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(O)CC1)n1cncn1
InChIInChI=1S/C10H16N4O2/c1-8(14-7-11-6-12-14)10(16)13-4-2-9(15)3-5-13/h6-9,15H,2-5H2,1H3
InChIKeyXJBBYDTYTVDASL-UHFFFAOYSA-N
XLogP-0.18
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one (CID 43417507) is 1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one is CC(C(=O)N1CCC(O)CC1)n1cncn1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is XJBBYDTYTVDASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8(14-7-11-6-12-14)10(16)13-4-2-9(15)3-5-13/h6-9,15H,2-5H2,1H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 224.26 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 43417507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).