[4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate

C13H16FNO2 — CID 54133664

IUPAC[4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate
SMILESO=CON1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO2/c14-13-3-1-11(2-4-13)9-12-5-7-15(8-6-12)17-10-16/h1-4,10,12H,5-9H2
InChIKeyMPDWSVAEZRFJNZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.17
Rot. Bonds4

About [4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate

[4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate (PubChem CID 54133664) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate
PubChem CID54133664
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate
SMILESO=CON1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO2/c14-13-3-1-11(2-4-13)9-12-5-7-15(8-6-12)17-10-16/h1-4,10,12H,5-9H2
InChIKeyMPDWSVAEZRFJNZ-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Difluoromethyl 4-benzylpiperidine-1-carboxylate
CID 146161418
3-[(4-Fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 22318232
4-(4-Fluorophenyl)-methoxy piperidine
CID 22707847
4-(4-Fluorophenyl)piperidin-1-ol
CID 54555164
(4-Phenylpiperidin-1-yl) 2,2,2-trifluoroacetate
CID 57289962
4-(4-Fluorophenyl)piperidine-1-carbaldehyde
CID 57495856
3-Ethyl-4-(4-fluorophenyl)piperidine-1-carbaldehyde
CID 59079044
(4-Benzhydrylidenepiperidin-1-yl) 2,2,2-trifluoroacetate
CID 67359011
4-[(4-Fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 68443320
4-[(3-Fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 68970254
4-[Fluoro(phenyl)methyl]piperidine-1-carboxylic acid
CID 69344527
[4-[[4-(Trifluoromethyl)phenyl]methyl]piperidin-1-yl] acetate
CID 69351748

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate?
The IUPAC name of [4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate (CID 54133664) is [4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate is O=CON1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate?
The InChIKey is MPDWSVAEZRFJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-13-3-1-11(2-4-13)9-12-5-7-15(8-6-12)17-10-16/h1-4,10,12H,5-9H2.
What are the key properties of [4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate?
[4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate has a molecular weight of 237.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]piperidin-1-yl] formate is sourced from PubChem (CID 54133664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).