cyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone

C20H28FNO2 — CID 53037992

IUPACcyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C20H28FNO2/c21-18-7-4-8-19(15-18)24-14-11-16-9-12-22(13-10-16)20(23)17-5-2-1-3-6-17/h4,7-8,15-17H,1-3,5-6,9-14H2
InChIKeyBLQKJMMSBVOWEE-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.41
Rot. Bonds5

About cyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone

cyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone (PubChem CID 53037992) has the molecular formula C20H28FNO2 and a molecular weight of 333.45 g/mol. Its IUPAC name is cyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
PubChem CID53037992
Molecular FormulaC20H28FNO2
Molecular Weight333.45 g/mol
Exact Mass333.21
IUPAC Namecyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C20H28FNO2/c21-18-7-4-8-19(15-18)24-14-11-16-9-12-22(13-10-16)20(23)17-5-2-1-3-6-17/h4,7-8,15-17H,1-3,5-6,9-14H2
InChIKeyBLQKJMMSBVOWEE-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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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone (CID 53037992) is cyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(CCOc2cccc(F)c2)CC1.
What is the InChIKey of cyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The InChIKey is BLQKJMMSBVOWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO2/c21-18-7-4-8-19(15-18)24-14-11-16-9-12-22(13-10-16)20(23)17-5-2-1-3-6-17/h4,7-8,15-17H,1-3,5-6,9-14H2.
What are the key properties of cyclohexyl-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
cyclohexyl-[4-[2-(3-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-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53037992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).