(4-fluorophenyl) 3-piperidin-4-ylpropanoate

C14H18FNO2 — CID 117125845

IUPAC(4-fluorophenyl) 3-piperidin-4-ylpropanoate
SMILESO=C(CCC1CCNCC1)Oc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c15-12-2-4-13(5-3-12)18-14(17)6-1-11-7-9-16-10-8-11/h2-5,11,16H,1,6-10H2
InChIKeyYILWBYUEBGATMN-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.51
Rot. Bonds4

About (4-fluorophenyl) 3-piperidin-4-ylpropanoate

(4-fluorophenyl) 3-piperidin-4-ylpropanoate (PubChem CID 117125845) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (4-fluorophenyl) 3-piperidin-4-ylpropanoate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-piperidin-4-ylpropanoate
PubChem CID117125845
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(4-fluorophenyl) 3-piperidin-4-ylpropanoate
SMILESO=C(CCC1CCNCC1)Oc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c15-12-2-4-13(5-3-12)18-14(17)6-1-11-7-9-16-10-8-11/h2-5,11,16H,1,6-10H2
InChIKeyYILWBYUEBGATMN-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate
CID 117125836
(4-fluorophenyl) 3-[(3S)-3-(4-propylcyclohexyl)cyclohexyl]propanoate
CID 67790563
(4-bromophenyl) 2-piperidin-4-ylacetate
CID 117125789
1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride
CID 22068232
[4-(4-piperidin-4-ylbutyl)phenyl] propanoate;hydrochloride
CID 174282200
piperidin-4-yl 3-cyclopropylpropanoate
CID 158472196
[4-(difluoromethoxy)phenyl] 3-(4-butylcyclohexyl)propanoate
CID 67789984
(3,4-difluorophenyl) 3-(4-butylcyclohexyl)propanoate
CID 67789718
4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid
CID 134366951
N-[4-(difluoromethoxy)phenyl]-3-piperidin-4-ylpropanamide
CID 62210859
propanoyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 174378538
ethynyl 3-piperidin-4-ylpropanoate
CID 174561652

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3-piperidin-4-ylpropanoate?
The IUPAC name of (4-fluorophenyl) 3-piperidin-4-ylpropanoate (CID 117125845) is (4-fluorophenyl) 3-piperidin-4-ylpropanoate.
What is the SMILES notation for (4-fluorophenyl) 3-piperidin-4-ylpropanoate?
The canonical SMILES for (4-fluorophenyl) 3-piperidin-4-ylpropanoate is O=C(CCC1CCNCC1)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 3-piperidin-4-ylpropanoate?
The InChIKey is YILWBYUEBGATMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-12-2-4-13(5-3-12)18-14(17)6-1-11-7-9-16-10-8-11/h2-5,11,16H,1,6-10H2.
What are the key properties of (4-fluorophenyl) 3-piperidin-4-ylpropanoate?
(4-fluorophenyl) 3-piperidin-4-ylpropanoate has a molecular weight of 251.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3-piperidin-4-ylpropanoate is sourced from PubChem (CID 117125845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).