1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one

C14H25NO3 — CID 80707454

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
SMILESCC1(O)CCN(C(=O)CCC2CCCCO2)CC1
InChIInChI=1S/C14H25NO3/c1-14(17)7-9-15(10-8-14)13(16)6-5-12-4-2-3-11-18-12/h12,17H,2-11H2,1H3
InChIKeyWQMHZYVEGOWWIN-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.71
Rot. Bonds3

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one

1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one (PubChem CID 80707454) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
PubChem CID80707454
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
SMILESCC1(O)CCN(C(=O)CCC2CCCCO2)CC1
InChIInChI=1S/C14H25NO3/c1-14(17)7-9-15(10-8-14)13(16)6-5-12-4-2-3-11-18-12/h12,17H,2-11H2,1H3
InChIKeyWQMHZYVEGOWWIN-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-4-methyl-1-[3-(oxan-2-yl)propanoyl]piperidine-4-carboximidamide
CID 107162390
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
1-[4-(chloromethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 63951405
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride
CID 120815683
1-[3-(oxan-2-yl)propanoyl]-1,4-diazepan-5-one
CID 63938684
1-(4-bromopiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 80661560
1-(3-chloro-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 102961397
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 114778648
N'-hydroxy-4-methylsulfanyl-1-[3-(oxolan-2-yl)propanoyl]piperidine-4-carboximidamide
CID 77108607
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707393
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-3-(oxan-2-yl)propan-1-one
CID 114781501
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one (CID 80707454) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one is CC1(O)CCN(C(=O)CCC2CCCCO2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one?
The InChIKey is WQMHZYVEGOWWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(17)7-9-15(10-8-14)13(16)6-5-12-4-2-3-11-18-12/h12,17H,2-11H2,1H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one?
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one has a molecular weight of 255.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 80707454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).