1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone

C14H25NO3 — CID 115276226

IUPAC1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
SMILESCC1(C)CCC(O)CN1C(=O)CC1CCOCC1
InChIInChI=1S/C14H25NO3/c1-14(2)6-3-12(16)10-15(14)13(17)9-11-4-7-18-8-5-11/h11-12,16H,3-10H2,1-2H3
InChIKeyHLBIJTZHRUFJIG-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.57
Rot. Bonds2

About 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone

1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone (PubChem CID 115276226) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
PubChem CID115276226
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
SMILESCC1(C)CCC(O)CN1C(=O)CC1CCOCC1
InChIInChI=1S/C14H25NO3/c1-14(2)6-3-12(16)10-15(14)13(17)9-11-4-7-18-8-5-11/h11-12,16H,3-10H2,1-2H3
InChIKeyHLBIJTZHRUFJIG-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 115270562
2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one
CID 115269393
2-(4-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269412
2-(2-fluorophenyl)-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269420
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 115276231
2-cyclobutyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276015
1-(4-tert-butylpiperazin-1-yl)-2-(oxan-4-yl)ethanone
CID 129268223
2-cyclohexyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276010
1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(oxan-4-yl)ethanone
CID 110156326
(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115276194
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120817590
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 175660425

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone (CID 115276226) is 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone is CC1(C)CCC(O)CN1C(=O)CC1CCOCC1.
What is the InChIKey of 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is HLBIJTZHRUFJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2)6-3-12(16)10-15(14)13(17)9-11-4-7-18-8-5-11/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone?
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 255.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 115276226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).