1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one

C10H16N4O2 — CID 43417117

IUPAC1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
SMILESO=C(CCn1ccnn1)N1CCC(O)CC1
InChIInChI=1S/C10H16N4O2/c15-9-1-5-13(6-2-9)10(16)3-7-14-8-4-11-12-14/h4,8-9,15H,1-3,5-7H2
InChIKeyRIPCBWMQOQSAOK-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.35
Rot. Bonds3

About 1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one

1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one (PubChem CID 43417117) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
PubChem CID43417117
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
SMILESO=C(CCn1ccnn1)N1CCC(O)CC1
InChIInChI=1S/C10H16N4O2/c15-9-1-5-13(6-2-9)10(16)3-7-14-8-4-11-12-14/h4,8-9,15H,1-3,5-7H2
InChIKeyRIPCBWMQOQSAOK-UHFFFAOYSA-N
XLogP-0.35
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.35
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)-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one (CID 43417117) is 1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one is O=C(CCn1ccnn1)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one?
The InChIKey is RIPCBWMQOQSAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-9-1-5-13(6-2-9)10(16)3-7-14-8-4-11-12-14/h4,8-9,15H,1-3,5-7H2.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one?
1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one has a molecular weight of 224.26 g/mol, XLogP of -0.35, 3 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)-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 43417117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).