1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea

C14H20FN3O2 — CID 111437646

IUPAC1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NC1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN3O2/c15-11-2-1-3-13(10-11)18-7-4-12(5-8-18)17-14(20)16-6-9-19/h1-3,10,12,19H,4-9H2,(H2,16,17,20)
InChIKeyMKCWTOFDWBJSIR-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.09
Rot. Bonds4

About 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea

1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea (PubChem CID 111437646) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea
PubChem CID111437646
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NC1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN3O2/c15-11-2-1-3-13(10-11)18-7-4-12(5-8-18)17-14(20)16-6-9-19/h1-3,10,12,19H,4-9H2,(H2,16,17,20)
InChIKeyMKCWTOFDWBJSIR-UHFFFAOYSA-N
XLogP1.09
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-fluorophenyl)piperidin-4-yl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631108
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
1-ethyl-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111992616
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
1-[2-(diethylsulfamoyl)ethyl]-3-[1-(3-fluorophenyl)piperidin-4-yl]-2-methylguanidine
CID 111992571
N-[2-[[ethylamino-[[1-(3-fluorophenyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111994220
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
1-(2-fluoroethyl)-3-[(3S)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea
CID 125140707

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea (CID 111437646) is 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NC1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is MKCWTOFDWBJSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c15-11-2-1-3-13(10-11)18-7-4-12(5-8-18)17-14(20)16-6-9-19/h1-3,10,12,19H,4-9H2,(H2,16,17,20).
What are the key properties of 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea?
1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 281.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 111437646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).