(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one

C15H21NO2 — CID 670229

IUPAC(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
SMILESCC1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-12-8-10-16(11-9-12)15(17)13(2)18-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t13-/m1/s1
InChIKeyOUHBIQYFCGFHOJ-CYBMUJFWSA-N
MW247.34 g/mol
LogP2.71
Rot. Bonds3

About (2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one

(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one (PubChem CID 670229) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
PubChem CID670229
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
SMILESCC1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-12-8-10-16(11-9-12)15(17)13(2)18-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t13-/m1/s1
InChIKeyOUHBIQYFCGFHOJ-CYBMUJFWSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 171145256
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one
CID 42561059
(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 35329051
(2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
CID 95984069

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one?
The IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one (CID 670229) is (2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one.
What is the SMILES notation for (2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one?
The canonical SMILES for (2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one is CC1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1.
What is the InChIKey of (2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one?
The InChIKey is OUHBIQYFCGFHOJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-8-10-16(11-9-12)15(17)13(2)18-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one?
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one is sourced from PubChem (CID 670229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).