2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one

C16H23NO2 — CID 3876890

IUPAC2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-12-4-6-15(7-5-12)19-14(3)16(18)17-10-8-13(2)9-11-17/h4-7,13-14H,8-11H2,1-3H3
InChIKeyPLRNWZXAZQRPLK-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds3

About 2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one

2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 3876890) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID3876890
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-12-4-6-15(7-5-12)19-14(3)16(18)17-10-8-13(2)9-11-17/h4-7,13-14H,8-11H2,1-3H3
InChIKeyPLRNWZXAZQRPLK-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodophenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 171145256
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 62916587
(2S)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 94596120
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 115966356
(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 35329051
(2S)-2-(1,3-benzodioxol-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 39854933
N-cyclopropyl-2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]propanamide
CID 51329084
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 18112386
7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one
CID 7290736

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 3876890) is 2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one is Cc1ccc(OC(C)C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is PLRNWZXAZQRPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-4-6-15(7-5-12)19-14(3)16(18)17-10-8-13(2)9-11-17/h4-7,13-14H,8-11H2,1-3H3.
What are the key properties of 2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one?
2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 3876890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).