[4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone

C23H27FN2O2 — CID 72891882

IUPAC[4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone
SMILESO=C(c1ccc(C2CCCNC2)cc1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C23H27FN2O2/c24-20-4-1-5-22(15-20)28-21-10-13-26(14-11-21)23(27)18-8-6-17(7-9-18)19-3-2-12-25-16-19/h1,4-9,15,19,21,25H,2-3,10-14,16H2
InChIKeyQWELRVBDZWTPMP-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.98
Rot. Bonds4

About [4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone

[4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone (PubChem CID 72891882) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is [4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone
PubChem CID72891882
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name[4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone
SMILESO=C(c1ccc(C2CCCNC2)cc1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C23H27FN2O2/c24-20-4-1-5-22(15-20)28-21-10-13-26(14-11-21)23(27)18-8-6-17(7-9-18)19-3-2-12-25-16-19/h1,4-9,15,19,21,25H,2-3,10-14,16H2
InChIKeyQWELRVBDZWTPMP-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone?
The IUPAC name of [4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone (CID 72891882) is [4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone.
What is the SMILES notation for [4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone?
The canonical SMILES for [4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone is O=C(c1ccc(C2CCCNC2)cc1)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of [4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone?
The InChIKey is QWELRVBDZWTPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c24-20-4-1-5-22(15-20)28-21-10-13-26(14-11-21)23(27)18-8-6-17(7-9-18)19-3-2-12-25-16-19/h1,4-9,15,19,21,25H,2-3,10-14,16H2.
What are the key properties of [4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone?
[4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone has a molecular weight of 382.48 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenoxy)piperidin-1-yl]-(4-piperidin-3-ylphenyl)methanone is sourced from PubChem (CID 72891882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).