3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine

C16H24FNO — CID 104663559

IUPAC3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine
SMILESCCCOc1ccccc1C(C)(F)C1CCCNC1
InChIInChI=1S/C16H24FNO/c1-3-11-19-15-9-5-4-8-14(15)16(2,17)13-7-6-10-18-12-13/h4-5,8-9,13,18H,3,6-7,10-12H2,1-2H3
InChIKeyZMVUMISOZPFPQK-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.66
Rot. Bonds5

About 3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine

3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine (PubChem CID 104663559) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine
PubChem CID104663559
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine
SMILESCCCOc1ccccc1C(C)(F)C1CCCNC1
InChIInChI=1S/C16H24FNO/c1-3-11-19-15-9-5-4-8-14(15)16(2,17)13-7-6-10-18-12-13/h4-5,8-9,13,18H,3,6-7,10-12H2,1-2H3
InChIKeyZMVUMISOZPFPQK-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-(2-propoxyphenyl)ethanol
CID 114794929
3-[difluoro-(2-methoxyphenyl)methyl]piperidine
CID 84728168
3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine
CID 112564829
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333
3-[difluoro-(2-methylphenyl)methyl]piperidine
CID 84725689
1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67194013
1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 68849093
(1R)-1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3S)-piperidin-3-yl]pentan-1-ol
CID 68992484
3-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853692
3-[(2-propoxyphenoxy)methyl]pyrrolidine
CID 55064564
2-[1-(azepan-4-yl)-1-fluoroethyl]phenol
CID 84727540
3-[1-(3,4-dihydro-2H-chromen-8-yl)-1-fluoroethyl]piperidine
CID 114747708

Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine?
The IUPAC name of 3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine (CID 104663559) is 3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine?
The canonical SMILES for 3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine is CCCOc1ccccc1C(C)(F)C1CCCNC1.
What is the InChIKey of 3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine?
The InChIKey is ZMVUMISOZPFPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-11-19-15-9-5-4-8-14(15)16(2,17)13-7-6-10-18-12-13/h4-5,8-9,13,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of 3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine?
3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine has a molecular weight of 265.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 104663559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).