(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one

C16H23NO2 — CID 93488066

IUPAC(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
SMILESCC[C@@H](Oc1ccccc1C)C(=O)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-3-14(16(18)17-11-7-4-8-12-17)19-15-10-6-5-9-13(15)2/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3/t14-/m1/s1
InChIKeyDDJIARYXZVFNDM-CQSZACIVSA-N
MW261.37 g/mol
LogP3.16
Rot. Bonds4

About (2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one

(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one (PubChem CID 93488066) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
PubChem CID93488066
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
SMILESCC[C@@H](Oc1ccccc1C)C(=O)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-3-14(16(18)17-11-7-4-8-12-17)19-15-10-6-5-9-13(15)2/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3/t14-/m1/s1
InChIKeyDDJIARYXZVFNDM-CQSZACIVSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenoxy)-1-[4-[2-(2-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 4981254
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
1-(4-benzhydrylpiperazin-1-yl)-2-(2-methylphenoxy)butan-1-one
CID 4945513
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylphenoxy)butan-1-one
CID 111781944
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methylphenoxy)butan-1-one;hydrochloride
CID 119648473
(2S)-4-[(2R)-2-(2-methylphenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125148922
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylphenoxy)butan-1-one
CID 38000480
(2S)-1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-methylphenoxy)butan-1-one
CID 124612140
(2S)-2-(2,3-dimethylphenoxy)-1-(4-ethylpiperazin-1-yl)butan-1-one
CID 99131307
2-(2,3-dimethylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 46772607
(2S)-2-(2,3-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 94019570
2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 136561532

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of (2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one (CID 93488066) is (2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for (2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one is CC[C@@H](Oc1ccccc1C)C(=O)N1CCCCC1.
What is the InChIKey of (2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one?
The InChIKey is DDJIARYXZVFNDM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-14(16(18)17-11-7-4-8-12-17)19-15-10-6-5-9-13(15)2/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one?
(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 93488066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).