2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone

C16H23NO4 — CID 82002837

IUPAC2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone
SMILESCOc1ccc([C@H](C)O)c(OCC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H23NO4/c1-12(18)14-7-6-13(20-2)10-15(14)21-11-16(19)17-8-4-3-5-9-17/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3/t12-/m0/s1
InChIKeyLSVAQJQTAPFOJG-LBPRGKRZSA-N
MW293.36 g/mol
LogP2.14
Rot. Bonds5

About 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone

2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone (PubChem CID 82002837) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone
PubChem CID82002837
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone
SMILESCOc1ccc([C@H](C)O)c(OCC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H23NO4/c1-12(18)14-7-6-13(20-2)10-15(14)21-11-16(19)17-8-4-3-5-9-17/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3/t12-/m0/s1
InChIKeyLSVAQJQTAPFOJG-LBPRGKRZSA-N
XLogP2.14
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[5-bromo-2-(1-hydroxyethyl)phenoxy]ethanone
CID 102948266
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]acetamide
CID 82001157
1-(azepan-1-yl)-2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]ethanone
CID 78933520
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylethanone
CID 63365992
1-(azepan-1-yl)-2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]ethanone
CID 63364408
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate
CID 82002031
(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 82000959
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 78932602
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone (CID 82002837) is 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone is COc1ccc([C@H](C)O)c(OCC(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone?
The InChIKey is LSVAQJQTAPFOJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(18)14-7-6-13(20-2)10-15(14)21-11-16(19)17-8-4-3-5-9-17/h6-7,10,12,18H,3-5,8-9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone?
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone has a molecular weight of 293.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 82002837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).