[(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate

C14H16FNO3 — CID 174926147

IUPAC[(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate
SMILESO=COC(c1ccccc1)N1CCCC(C(=O)F)C1
InChIInChI=1S/C14H16FNO3/c15-13(18)12-7-4-8-16(9-12)14(19-10-17)11-5-2-1-3-6-11/h1-3,5-6,10,12,14H,4,7-9H2
InChIKeyABINCVHQYCQRJL-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.07
Rot. Bonds5

About [(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate

[(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate (PubChem CID 174926147) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is [(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate.

Molecular Properties

Compound Name[(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate
PubChem CID174926147
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name[(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate
SMILESO=COC(c1ccccc1)N1CCCC(C(=O)F)C1
InChIInChI=1S/C14H16FNO3/c15-13(18)12-7-4-8-16(9-12)14(19-10-17)11-5-2-1-3-6-11/h1-3,5-6,10,12,14H,4,7-9H2
InChIKeyABINCVHQYCQRJL-UHFFFAOYSA-N
XLogP2.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[phenyl(piperidin-1-yl)methyl] formate;dihydrochloride
CID 174693585
(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
CID 129430805
tert-butyl 4-amino-3-[1-[formyloxy(phenyl)methyl]piperidin-3-yl]-1,2-thiazole-5-carboxylate
CID 174555228
[phenyl(pyrrolidin-1-yl)methyl] carbonochloridate
CID 174805703
1-(2-methyl-1-phenylpropyl)piperidine-3-carboxylic acid
CID 65054275
[[3-(2-bromoacetyl)-4-ethylpyrrolidin-1-yl]-phenylmethyl] formate
CID 175158638
1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
CID 55017302
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
[(3-oxopiperazin-1-yl)-phenylmethyl] formate
CID 174438417
[phenyl(pyrrolidin-1-yl)methyl] benzoate
CID 162398748
N-benzhydryl-1-methylpiperidine-3-carboxamide
CID 132650365
tert-butyl (3S)-1-(1-phenylethyl)piperidine-3-carboxylate;(3S)-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 162050309

Frequently Asked Questions

What is the IUPAC name of [(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate?
The IUPAC name of [(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate (CID 174926147) is [(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate.
What is the SMILES notation for [(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate?
The canonical SMILES for [(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate is O=COC(c1ccccc1)N1CCCC(C(=O)F)C1.
What is the InChIKey of [(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate?
The InChIKey is ABINCVHQYCQRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-13(18)12-7-4-8-16(9-12)14(19-10-17)11-5-2-1-3-6-11/h1-3,5-6,10,12,14H,4,7-9H2.
What are the key properties of [(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate?
[(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate has a molecular weight of 265.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-carbonofluoridoylpiperidin-1-yl)-phenylmethyl] formate is sourced from PubChem (CID 174926147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).