3-fluoro-3-(4-propoxyphenyl)piperidine

C14H20FNO — CID 112562960

IUPAC3-fluoro-3-(4-propoxyphenyl)piperidine
SMILESCCCOc1ccc(C2(F)CCCNC2)cc1
InChIInChI=1S/C14H20FNO/c1-2-10-17-13-6-4-12(5-7-13)14(15)8-3-9-16-11-14/h4-7,16H,2-3,8-11H2,1H3
InChIKeyOBPRASNLKLUMLQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.02
Rot. Bonds4

About 3-fluoro-3-(4-propoxyphenyl)piperidine

3-fluoro-3-(4-propoxyphenyl)piperidine (PubChem CID 112562960) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-fluoro-3-(4-propoxyphenyl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(4-propoxyphenyl)piperidine
PubChem CID112562960
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-fluoro-3-(4-propoxyphenyl)piperidine
SMILESCCCOc1ccc(C2(F)CCCNC2)cc1
InChIInChI=1S/C14H20FNO/c1-2-10-17-13-6-4-12(5-7-13)14(15)8-3-9-16-11-14/h4-7,16H,2-3,8-11H2,1H3
InChIKeyOBPRASNLKLUMLQ-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569714
(3S)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547145
(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547144
[2-(4-propoxyphenyl)oxan-2-yl]silane
CID 123149147
2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
CID 79853464
(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570590
3-(4-fluoropiperidin-4-yl)-5-propoxypyridine
CID 112563225
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
(3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine
CID 144644236
3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine
CID 112564446
3-(3-fluoroazetidin-3-yl)-5-propoxypyridine
CID 112563519
4-(4-propoxyphenoxy)azepane
CID 63904480

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-propoxyphenyl)piperidine?
The IUPAC name of 3-fluoro-3-(4-propoxyphenyl)piperidine (CID 112562960) is 3-fluoro-3-(4-propoxyphenyl)piperidine.
What is the SMILES notation for 3-fluoro-3-(4-propoxyphenyl)piperidine?
The canonical SMILES for 3-fluoro-3-(4-propoxyphenyl)piperidine is CCCOc1ccc(C2(F)CCCNC2)cc1.
What is the InChIKey of 3-fluoro-3-(4-propoxyphenyl)piperidine?
The InChIKey is OBPRASNLKLUMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-10-17-13-6-4-12(5-7-13)14(15)8-3-9-16-11-14/h4-7,16H,2-3,8-11H2,1H3.
What are the key properties of 3-fluoro-3-(4-propoxyphenyl)piperidine?
3-fluoro-3-(4-propoxyphenyl)piperidine has a molecular weight of 237.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-propoxyphenyl)piperidine is sourced from PubChem (CID 112562960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).