4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine

C14H20FNO — CID 82291965

IUPAC4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
SMILESCCOc1ccc(CC2CCNCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-2-17-14-4-3-12(10-13(14)15)9-11-5-7-16-8-6-11/h3-4,10-11,16H,2,5-9H2,1H3
InChIKeyGREXGNRWNMHUNJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.77
Rot. Bonds4

About 4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine

4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine (PubChem CID 82291965) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
PubChem CID82291965
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
SMILESCCOc1ccc(CC2CCNCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-2-17-14-4-3-12(10-13(14)15)9-11-5-7-16-8-6-11/h3-4,10-11,16H,2,5-9H2,1H3
InChIKeyGREXGNRWNMHUNJ-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline
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4-[(4-ethoxyphenyl)methyl]piperidine
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N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 115118835
4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine
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1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
N-[2-ethoxy-4-(piperidin-4-ylmethyl)phenyl]butanamide
CID 82260260
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine
CID 116925686
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine (CID 82291965) is 4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine is CCOc1ccc(CC2CCNCC2)cc1F.
What is the InChIKey of 4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine?
The InChIKey is GREXGNRWNMHUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-17-14-4-3-12(10-13(14)15)9-11-5-7-16-8-6-11/h3-4,10-11,16H,2,5-9H2,1H3.
What are the key properties of 4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine?
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine has a molecular weight of 237.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 82291965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).