4-[(3-ethoxyphenyl)-fluoromethyl]piperidine

C14H20FNO — CID 112563653

IUPAC4-[(3-ethoxyphenyl)-fluoromethyl]piperidine
SMILESCCOc1cccc(C(F)C2CCNCC2)c1
InChIInChI=1S/C14H20FNO/c1-2-17-13-5-3-4-12(10-13)14(15)11-6-8-16-9-7-11/h3-5,10-11,14,16H,2,6-9H2,1H3
InChIKeyWSSVJBPVBZAGIY-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.10
Rot. Bonds4

About 4-[(3-ethoxyphenyl)-fluoromethyl]piperidine

4-[(3-ethoxyphenyl)-fluoromethyl]piperidine (PubChem CID 112563653) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[(3-ethoxyphenyl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(3-ethoxyphenyl)-fluoromethyl]piperidine
PubChem CID112563653
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-[(3-ethoxyphenyl)-fluoromethyl]piperidine
SMILESCCOc1cccc(C(F)C2CCNCC2)c1
InChIInChI=1S/C14H20FNO/c1-2-17-13-5-3-4-12(10-13)14(15)11-6-8-16-9-7-11/h3-5,10-11,14,16H,2,6-9H2,1H3
InChIKeyWSSVJBPVBZAGIY-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[fluoro-(3-propylphenyl)methyl]piperidine
CID 116546553
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901
1-[(R)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171290527
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179653
4-[[3-(2-fluoroethoxy)phenyl]-phenylmethyl]piperidine
CID 139510278
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
3-[fluoro-(3-methoxyphenyl)methyl]piperidine
CID 84725285
(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749184
1-[(1S)-1-(3-ethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164818
2-(3-ethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83973250

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxyphenyl)-fluoromethyl]piperidine?
The IUPAC name of 4-[(3-ethoxyphenyl)-fluoromethyl]piperidine (CID 112563653) is 4-[(3-ethoxyphenyl)-fluoromethyl]piperidine.
What is the SMILES notation for 4-[(3-ethoxyphenyl)-fluoromethyl]piperidine?
The canonical SMILES for 4-[(3-ethoxyphenyl)-fluoromethyl]piperidine is CCOc1cccc(C(F)C2CCNCC2)c1.
What is the InChIKey of 4-[(3-ethoxyphenyl)-fluoromethyl]piperidine?
The InChIKey is WSSVJBPVBZAGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-17-13-5-3-4-12(10-13)14(15)11-6-8-16-9-7-11/h3-5,10-11,14,16H,2,6-9H2,1H3.
What are the key properties of 4-[(3-ethoxyphenyl)-fluoromethyl]piperidine?
4-[(3-ethoxyphenyl)-fluoromethyl]piperidine has a molecular weight of 237.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxyphenyl)-fluoromethyl]piperidine is sourced from PubChem (CID 112563653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).