3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine

C14H20FNO — CID 83912228

IUPAC3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine
SMILESCOc1cc(C(C)C2CCCNC2)ccc1F
InChIInChI=1S/C14H20FNO/c1-10(12-4-3-7-16-9-12)11-5-6-13(15)14(8-11)17-2/h5-6,8,10,12,16H,3-4,7,9H2,1-2H3
InChIKeyQHUJMNQIHURJCF-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.94
Rot. Bonds3

About 3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine

3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine (PubChem CID 83912228) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine
PubChem CID83912228
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine
SMILESCOc1cc(C(C)C2CCCNC2)ccc1F
InChIInChI=1S/C14H20FNO/c1-10(12-4-3-7-16-9-12)11-5-6-13(15)14(8-11)17-2/h5-6,8,10,12,16H,3-4,7,9H2,1-2H3
InChIKeyQHUJMNQIHURJCF-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol
CID 83910561
4-(1-piperidin-3-ylethyl)benzene-1,2-diol
CID 83910552
1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179720
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961
3-[1-(3-chlorophenyl)ethyl]piperidine
CID 83910984
4-(1-piperidin-3-ylethyl)phenol
CID 83908771
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
(1S,2R)-2-amino-1-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)ethanol;hydrochloride
CID 171159905
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190
N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline
CID 83911736
(3R)-3-[bis(4-fluorophenyl)methyl]piperidine
CID 166747896

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine?
The IUPAC name of 3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine (CID 83912228) is 3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine?
The canonical SMILES for 3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine is COc1cc(C(C)C2CCCNC2)ccc1F.
What is the InChIKey of 3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine?
The InChIKey is QHUJMNQIHURJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(12-4-3-7-16-9-12)11-5-6-13(15)14(8-11)17-2/h5-6,8,10,12,16H,3-4,7,9H2,1-2H3.
What are the key properties of 3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine?
3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine has a molecular weight of 237.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 83912228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).