1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone

C14H19NO3 — CID 43416001

IUPAC1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C14H19NO3/c16-13-6-8-15(9-7-13)14(17)11-18-10-12-4-2-1-3-5-12/h1-5,13,16H,6-11H2
InChIKeyUPPDVIBBEFYNTR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.19
Rot. Bonds4

About 1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone

1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone (PubChem CID 43416001) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
PubChem CID43416001
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C14H19NO3/c16-13-6-8-15(9-7-13)14(17)11-18-10-12-4-2-1-3-5-12/h1-5,13,16H,6-11H2
InChIKeyUPPDVIBBEFYNTR-UHFFFAOYSA-N
XLogP1.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 56895278
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119646015
1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one
CID 56909574
[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate
CID 14033062
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-phenylmethoxyethanone
CID 120656792
N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693509
1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121182574
3-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 156591251
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43427969

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone (CID 43416001) is 1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone?
The InChIKey is UPPDVIBBEFYNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13-6-8-15(9-7-13)14(17)11-18-10-12-4-2-1-3-5-12/h1-5,13,16H,6-11H2.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone?
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone has a molecular weight of 249.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone is sourced from PubChem (CID 43416001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).