3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine

C15H22FNO — CID 117381984

IUPAC3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine
SMILESCOc1cc(C2CCCNC2)cc(F)c1C(C)C
InChIInChI=1S/C15H22FNO/c1-10(2)15-13(16)7-12(8-14(15)18-3)11-5-4-6-17-9-11/h7-8,10-11,17H,4-6,9H2,1-3H3
InChIKeyOHKFMTWDORJQLI-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.42
Rot. Bonds3

About 3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine

3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine (PubChem CID 117381984) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine
PubChem CID117381984
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine
SMILESCOc1cc(C2CCCNC2)cc(F)c1C(C)C
InChIInChI=1S/C15H22FNO/c1-10(2)15-13(16)7-12(8-14(15)18-3)11-5-4-6-17-9-11/h7-8,10-11,17H,4-6,9H2,1-3H3
InChIKeyOHKFMTWDORJQLI-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
CID 99945845
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
3-(3-chloro-5-methoxy-4-propan-2-ylphenyl)pyrrolidine
CID 117387946
3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine
CID 117320080
3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine
CID 117465048
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine
CID 117347386
2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 117382016
3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
CID 84700227
3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine
CID 117479597
3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine
CID 83912228
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine?
The IUPAC name of 3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine (CID 117381984) is 3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine?
The canonical SMILES for 3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine is COc1cc(C2CCCNC2)cc(F)c1C(C)C.
What is the InChIKey of 3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine?
The InChIKey is OHKFMTWDORJQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10(2)15-13(16)7-12(8-14(15)18-3)11-5-4-6-17-9-11/h7-8,10-11,17H,4-6,9H2,1-3H3.
What are the key properties of 3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine?
3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine has a molecular weight of 251.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 117381984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).