1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone

C16H23NO4 — CID 82016141

IUPAC1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCC(OCCO)CC1
InChIInChI=1S/C16H23NO4/c18-10-11-21-15-6-8-17(9-7-15)16(19)13-20-12-14-4-2-1-3-5-14/h1-5,15,18H,6-13H2
InChIKeyNAVCOVWYLLQXLY-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.20
Rot. Bonds7

About 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone

1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 82016141) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
PubChem CID82016141
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCC(OCCO)CC1
InChIInChI=1S/C16H23NO4/c18-10-11-21-15-6-8-17(9-7-15)16(19)13-20-12-14-4-2-1-3-5-14/h1-5,15,18H,6-13H2
InChIKeyNAVCOVWYLLQXLY-UHFFFAOYSA-N
XLogP1.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
2-anilino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82695740
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 56895278
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119646015
2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
CID 91907818
2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82691138
2-(oxan-2-ylmethoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70729669
(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91907819
2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 55461347
1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121182574
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone (CID 82016141) is 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCC(OCCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is NAVCOVWYLLQXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-10-11-21-15-6-8-17(9-7-15)16(19)13-20-12-14-4-2-1-3-5-14/h1-5,15,18H,6-13H2.
What are the key properties of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone?
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 293.36 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 82016141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).