3-[2-(4-fluorophenyl)ethoxymethyl]piperidine

C14H20FNO — CID 45074936

IUPAC3-[2-(4-fluorophenyl)ethoxymethyl]piperidine
SMILESFc1ccc(CCOCC2CCCNC2)cc1
InChIInChI=1S/C14H20FNO/c15-14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13/h3-6,13,16H,1-2,7-11H2
InChIKeyYEKSLRBDUOFOKR-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.38
Rot. Bonds5

About 3-[2-(4-fluorophenyl)ethoxymethyl]piperidine

3-[2-(4-fluorophenyl)ethoxymethyl]piperidine (PubChem CID 45074936) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethoxymethyl]piperidine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethoxymethyl]piperidine
PubChem CID45074936
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[2-(4-fluorophenyl)ethoxymethyl]piperidine
SMILESFc1ccc(CCOCC2CCCNC2)cc1
InChIInChI=1S/C14H20FNO/c15-14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13/h3-6,13,16H,1-2,7-11H2
InChIKeyYEKSLRBDUOFOKR-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-naphthalen-2-ylethoxymethyl)piperidine
CID 44784862
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831222
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211456
3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine
CID 116616556
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
2-[4-(piperidin-3-ylmethoxy)phenyl]ethanol
CID 103694745
3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine
CID 62357182

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethoxymethyl]piperidine?
The IUPAC name of 3-[2-(4-fluorophenyl)ethoxymethyl]piperidine (CID 45074936) is 3-[2-(4-fluorophenyl)ethoxymethyl]piperidine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethoxymethyl]piperidine?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethoxymethyl]piperidine is Fc1ccc(CCOCC2CCCNC2)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethoxymethyl]piperidine?
The InChIKey is YEKSLRBDUOFOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13/h3-6,13,16H,1-2,7-11H2.
What are the key properties of 3-[2-(4-fluorophenyl)ethoxymethyl]piperidine?
3-[2-(4-fluorophenyl)ethoxymethyl]piperidine has a molecular weight of 237.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethoxymethyl]piperidine is sourced from PubChem (CID 45074936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).