1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone

C15H21NO2 — CID 86320597

IUPAC1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC[C@H]2CCCCN2)cc1
InChIInChI=1S/C15H21NO2/c1-12(17)13-5-7-15(8-6-13)18-11-9-14-4-2-3-10-16-14/h5-8,14,16H,2-4,9-11H2,1H3/t14-/m1/s1
InChIKeyZXGAHEKOJYIRSN-CQSZACIVSA-N
MW247.34 g/mol
LogP2.80
Rot. Bonds5

About 1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone

1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone (PubChem CID 86320597) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
PubChem CID86320597
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC[C@H]2CCCCN2)cc1
InChIInChI=1S/C15H21NO2/c1-12(17)13-5-7-15(8-6-13)18-11-9-14-4-2-3-10-16-14/h5-8,14,16H,2-4,9-11H2,1H3/t14-/m1/s1
InChIKeyZXGAHEKOJYIRSN-CQSZACIVSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride
CID 56829802
(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride
CID 70091402
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
4-methoxy-N-(4-methoxyphenyl)-N-[4-(2-piperidin-2-ylethoxy)phenyl]benzamide
CID 69172491
benzyl 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoate
CID 86321634
2-methyl-4-(2-piperidin-2-ylethoxy)benzamide
CID 81276506
1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride
CID 68998757
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
2-[2-(4-cyclohexyloxyphenoxy)ethyl]piperidine
CID 54293504
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone (CID 86320597) is 1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone is CC(=O)c1ccc(OCC[C@H]2CCCCN2)cc1.
What is the InChIKey of 1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone?
The InChIKey is ZXGAHEKOJYIRSN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(17)13-5-7-15(8-6-13)18-11-9-14-4-2-3-10-16-14/h5-8,14,16H,2-4,9-11H2,1H3/t14-/m1/s1.
What are the key properties of 1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone?
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone is sourced from PubChem (CID 86320597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).