1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one

C21H23NO2 — CID 167714044

IUPAC1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one
SMILESO=C1CCN(C2(c3ccccc3OCc3ccccc3)CC2)CC1
InChIInChI=1S/C21H23NO2/c23-18-10-14-22(15-11-18)21(12-13-21)19-8-4-5-9-20(19)24-16-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKeyFNCDYVSMSXFBRM-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.92
Rot. Bonds5

About 1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one

1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one (PubChem CID 167714044) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one.

Molecular Properties

Compound Name1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one
PubChem CID167714044
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one
SMILESO=C1CCN(C2(c3ccccc3OCc3ccccc3)CC2)CC1
InChIInChI=1S/C21H23NO2/c23-18-10-14-22(15-11-18)21(12-13-21)19-8-4-5-9-20(19)24-16-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKeyFNCDYVSMSXFBRM-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylmethoxyphenoxy)azetidin-2-one
CID 67621881
CID 101083628
CID 101083628
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CID 15261919
1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117457732
1-(2-hydroxy-3-phenylmethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117497648
3-[4-benzyl-4-(2-phenylmethoxyphenyl)piperidin-1-yl]-2-methylpropanal
CID 142660543
1-[1-(4-phenylmethoxyphenyl)ethyl]piperidin-4-one
CID 167714155
8-(2-phenylmethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 70007611
(2R)-1-(4-methoxyphenyl)-5-oxo-2-(2-phenylmethoxyphenyl)pyrrolidine-2-carbonitrile
CID 1214293
1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
CID 66688931
3-methyl-1-[2-(2-phenylmethoxyphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 119256206
2-[2-methyl-1-(2-phenylmethoxyphenyl)cyclopropyl]oxyacetic acid
CID 174211752

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one?
The IUPAC name of 1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one (CID 167714044) is 1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one.
What is the SMILES notation for 1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one?
The canonical SMILES for 1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one is O=C1CCN(C2(c3ccccc3OCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one?
The InChIKey is FNCDYVSMSXFBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c23-18-10-14-22(15-11-18)21(12-13-21)19-8-4-5-9-20(19)24-16-17-6-2-1-3-7-17/h1-9H,10-16H2.
What are the key properties of 1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one?
1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one has a molecular weight of 321.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylmethoxyphenyl)cyclopropyl]piperidin-4-one is sourced from PubChem (CID 167714044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).