[2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate

C14H18FNO2 — CID 174645078

IUPAC[2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCNC(Cc2cccc(F)c2)C1
InChIInChI=1S/C14H18FNO2/c1-10(17)18-14-5-6-16-13(9-14)8-11-3-2-4-12(15)7-11/h2-4,7,13-14,16H,5-6,8-9H2,1H3
InChIKeyBEVBGWPQDCYNQL-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.05
Rot. Bonds3

About [2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate

[2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate (PubChem CID 174645078) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate
PubChem CID174645078
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name[2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCNC(Cc2cccc(F)c2)C1
InChIInChI=1S/C14H18FNO2/c1-10(17)18-14-5-6-16-13(9-14)8-11-3-2-4-12(15)7-11/h2-4,7,13-14,16H,5-6,8-9H2,1H3
InChIKeyBEVBGWPQDCYNQL-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3,5-ditert-butylphenyl)methyl]piperidin-4-yl] acetate
CID 174656857
[2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate
CID 175272378
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
methyl 4-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 117270161
2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 174722870
[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate
CID 174645067
N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626297
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120624041
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
3-[(3-fluorophenyl)methyl]piperazine-1-carbaldehyde
CID 142506745
2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine
CID 105409335
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate?
The IUPAC name of [2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate (CID 174645078) is [2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate is CC(=O)OC1CCNC(Cc2cccc(F)c2)C1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate?
The InChIKey is BEVBGWPQDCYNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(17)18-14-5-6-16-13(9-14)8-11-3-2-4-12(15)7-11/h2-4,7,13-14,16H,5-6,8-9H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate?
[2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate has a molecular weight of 251.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate is sourced from PubChem (CID 174645078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).