(2-fluorophenyl)methyl 2-piperidin-3-ylacetate

C14H18FNO2 — CID 63932202

IUPAC(2-fluorophenyl)methyl 2-piperidin-3-ylacetate
SMILESO=C(CC1CCCNC1)OCc1ccccc1F
InChIInChI=1S/C14H18FNO2/c15-13-6-2-1-5-12(13)10-18-14(17)8-11-4-3-7-16-9-11/h1-2,5-6,11,16H,3-4,7-10H2
InChIKeyVQOSAXQKMNYHFY-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.26
Rot. Bonds4

About (2-fluorophenyl)methyl 2-piperidin-3-ylacetate

(2-fluorophenyl)methyl 2-piperidin-3-ylacetate (PubChem CID 63932202) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-piperidin-3-ylacetate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-piperidin-3-ylacetate
PubChem CID63932202
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2-fluorophenyl)methyl 2-piperidin-3-ylacetate
SMILESO=C(CC1CCCNC1)OCc1ccccc1F
InChIInChI=1S/C14H18FNO2/c15-13-6-2-1-5-12(13)10-18-14(17)8-11-4-3-7-16-9-11/h1-2,5-6,11,16H,3-4,7-10H2
InChIKeyVQOSAXQKMNYHFY-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
(2-fluorophenyl)methyl piperidine-4-carboxylate
CID 63933211
4-[(2-fluorophenyl)methoxymethyl]azepane
CID 115070870
N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine
CID 115211436
N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208851
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
1-(2-fluorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 60895338
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
2,2,2-trifluoroethyl 2-piperidin-3-ylacetate
CID 102548856
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-piperidin-3-ylacetate?
The IUPAC name of (2-fluorophenyl)methyl 2-piperidin-3-ylacetate (CID 63932202) is (2-fluorophenyl)methyl 2-piperidin-3-ylacetate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-piperidin-3-ylacetate?
The canonical SMILES for (2-fluorophenyl)methyl 2-piperidin-3-ylacetate is O=C(CC1CCCNC1)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 2-piperidin-3-ylacetate?
The InChIKey is VQOSAXQKMNYHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-6-2-1-5-12(13)10-18-14(17)8-11-4-3-7-16-9-11/h1-2,5-6,11,16H,3-4,7-10H2.
What are the key properties of (2-fluorophenyl)methyl 2-piperidin-3-ylacetate?
(2-fluorophenyl)methyl 2-piperidin-3-ylacetate has a molecular weight of 251.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-piperidin-3-ylacetate is sourced from PubChem (CID 63932202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).