1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one

C13H25NO2 — CID 111970406

IUPAC1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one
SMILESCC(C)CC(C)(C)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-13(3,4)12(16)14-7-5-11(15)6-8-14/h10-11,15H,5-9H2,1-4H3
InChIKeyPEBZGMNGHQRZQH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.04
Rot. Bonds3

About 1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one

1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one (PubChem CID 111970406) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one
PubChem CID111970406
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one
SMILESCC(C)CC(C)(C)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H25NO2/c1-10(2)9-13(3,4)12(16)14-7-5-11(15)6-8-14/h10-11,15H,5-9H2,1-4H3
InChIKeyPEBZGMNGHQRZQH-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one (CID 111970406) is 1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one is CC(C)CC(C)(C)C(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one?
The InChIKey is PEBZGMNGHQRZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)9-13(3,4)12(16)14-7-5-11(15)6-8-14/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one?
1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2,2,4-trimethylpentan-1-one is sourced from PubChem (CID 111970406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).