cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone

C20H28FNO2 — CID 53037979

IUPACcyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(CCOc2ccccc2F)CC1
InChIInChI=1S/C20H28FNO2/c21-18-8-4-5-9-19(18)24-15-12-16-10-13-22(14-11-16)20(23)17-6-2-1-3-7-17/h4-5,8-9,16-17H,1-3,6-7,10-15H2
InChIKeyQLEVFBHSCDLFHO-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.41
Rot. Bonds5

About cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone

cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone (PubChem CID 53037979) has the molecular formula C20H28FNO2 and a molecular weight of 333.45 g/mol. Its IUPAC name is cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
PubChem CID53037979
Molecular FormulaC20H28FNO2
Molecular Weight333.45 g/mol
Exact Mass333.21
IUPAC Namecyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(CCOc2ccccc2F)CC1
InChIInChI=1S/C20H28FNO2/c21-18-8-4-5-9-19(18)24-15-12-16-10-13-22(14-11-16)20(23)17-6-2-1-3-7-17/h4-5,8-9,16-17H,1-3,6-7,10-15H2
InChIKeyQLEVFBHSCDLFHO-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone
CID 50846781
1-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]ethanone
CID 53150747
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(2-fluorophenoxy)butan-1-one
CID 55956319
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 50846846
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
CID 86944684
(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 50846942
1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63031287
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-[3-[2-(2-fluorophenoxy)ethyl]pyrrolidin-1-yl]methanone
CID 91909318
(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid
CID 124576580
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 119484287
6-[4-[3-[2-(2-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 91909315
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone (CID 53037979) is cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(CCOc2ccccc2F)CC1.
What is the InChIKey of cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The InChIKey is QLEVFBHSCDLFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO2/c21-18-8-4-5-9-19(18)24-15-12-16-10-13-22(14-11-16)20(23)17-6-2-1-3-7-17/h4-5,8-9,16-17H,1-3,6-7,10-15H2.
What are the key properties of cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone has a molecular weight of 333.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53037979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).