2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone

C16H23NO3 — CID 82691118

IUPAC2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN1CCC(OCCO)CC1
InChIInChI=1S/C16H23NO3/c1-13-4-2-3-5-15(13)16(19)12-17-8-6-14(7-9-17)20-11-10-18/h2-5,14,18H,6-12H2,1H3
InChIKeyJUOPPMIWMKTMHF-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.65
Rot. Bonds6

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

2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone (PubChem CID 82691118) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone
PubChem CID82691118
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN1CCC(OCCO)CC1
InChIInChI=1S/C16H23NO3/c1-13-4-2-3-5-15(13)16(19)12-17-8-6-14(7-9-17)20-11-10-18/h2-5,14,18H,6-12H2,1H3
InChIKeyJUOPPMIWMKTMHF-UHFFFAOYSA-N
XLogP1.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82016086
2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
CID 63622437
1-(2-methylphenyl)-2-(4-methylsulfanylazepan-1-yl)ethanone
CID 114237550
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-phenylpropan-1-one
CID 82691756
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
CID 82689559
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43794322
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 82015841
1-(2-methylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030884
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone
CID 43797125
(1-benzylpiperidin-4-yl) 2-methylbenzoate
CID 18919792
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226
N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 103196880

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone (CID 82691118) is 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)CN1CCC(OCCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone?
The InChIKey is JUOPPMIWMKTMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13-4-2-3-5-15(13)16(19)12-17-8-6-14(7-9-17)20-11-10-18/h2-5,14,18H,6-12H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone?
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone has a molecular weight of 277.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 82691118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).