3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine

C12H15ClFNO — CID 83825082

IUPAC3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine
SMILESCOc1ccc(Cl)cc1C1(F)CCCNC1
InChIInChI=1S/C12H15ClFNO/c1-16-11-4-3-9(13)7-10(11)12(14)5-2-6-15-8-12/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyFCTPNQCJZAVGQZ-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.90
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine

3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine (PubChem CID 83825082) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine
PubChem CID83825082
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine
SMILESCOc1ccc(Cl)cc1C1(F)CCCNC1
InChIInChI=1S/C12H15ClFNO/c1-16-11-4-3-9(13)7-10(11)12(14)5-2-6-15-8-12/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyFCTPNQCJZAVGQZ-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine
CID 112564095
2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine
CID 65002776
3-fluoro-3-(2,4,5-trimethylphenyl)piperidine
CID 112562991
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine
CID 112564332
3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine
CID 68754232
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
3-fluoro-3-(2-methylphenyl)piperidine
CID 83818332
3-(2-methoxy-5-methylphenyl)piperidin-3-ol
CID 63587735
4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
CID 112563142
2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride
CID 154887610
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine (CID 83825082) is 3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine is COc1ccc(Cl)cc1C1(F)CCCNC1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine?
The InChIKey is FCTPNQCJZAVGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-16-11-4-3-9(13)7-10(11)12(14)5-2-6-15-8-12/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine?
3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine has a molecular weight of 243.71 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine is sourced from PubChem (CID 83825082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).