2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone

C21H25NO2 — CID 82051816

IUPAC2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C21H25NO2/c1-17-6-5-13-22(14-17)15-21(23)19-9-11-20(12-10-19)24-16-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3
InChIKeyRZEMIXPYJPDSBB-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.18
Rot. Bonds6

About 2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone

2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone (PubChem CID 82051816) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone
PubChem CID82051816
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C21H25NO2/c1-17-6-5-13-22(14-17)15-21(23)19-9-11-20(12-10-19)24-16-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3
InChIKeyRZEMIXPYJPDSBB-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 9107081
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006523
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
1-(3,4-dihydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219441
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82102438
3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050418
2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 43227667
2-[(3aR,6aS)-5-(4-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanone
CID 118981672
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984720

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone (CID 82051816) is 2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone is CC1CCCN(CC(=O)c2ccc(OCc3ccccc3)cc2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone?
The InChIKey is RZEMIXPYJPDSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-17-6-5-13-22(14-17)15-21(23)19-9-11-20(12-10-19)24-16-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone?
2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone has a molecular weight of 323.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 82051816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).