1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one

C14H25NO3 — CID 63951763

IUPAC1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one
SMILESO=C(CCC1CCCCO1)N1CCCCC1CO
InChIInChI=1S/C14H25NO3/c16-11-12-5-1-3-9-15(12)14(17)8-7-13-6-2-4-10-18-13/h12-13,16H,1-11H2
InChIKeyZHFPTKVNHJETET-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.71
Rot. Bonds4

About 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one

1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one (PubChem CID 63951763) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one
PubChem CID63951763
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one
SMILESO=C(CCC1CCCCO1)N1CCCCC1CO
InChIInChI=1S/C14H25NO3/c16-11-12-5-1-3-9-15(12)14(17)8-7-13-6-2-4-10-18-13/h12-13,16H,1-11H2
InChIKeyZHFPTKVNHJETET-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

1-[2-(2-chloroethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65159753
3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 62217111
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65159910
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one;hydrochloride
CID 119649777
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95316152
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 65160190
5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one
CID 107908372
(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136843
4-hydroxy-1-[2-(hydroxymethyl)azepan-1-yl]butan-1-one
CID 116640578
5-hydroxy-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one
CID 79199717
3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one (CID 63951763) is 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one is O=C(CCC1CCCCO1)N1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one?
The InChIKey is ZHFPTKVNHJETET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-11-12-5-1-3-9-15(12)14(17)8-7-13-6-2-4-10-18-13/h12-13,16H,1-11H2.
What are the key properties of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one?
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one has a molecular weight of 255.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 63951763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).