3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine

C12H15ClFNO — CID 83825083

IUPAC3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine
SMILESCOc1ccc(C2(F)CCCNC2)cc1Cl
InChIInChI=1S/C12H15ClFNO/c1-16-11-4-3-9(7-10(11)13)12(14)5-2-6-15-8-12/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyICDLJTDFPCZFLR-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.90
Rot. Bonds2

About 3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine

3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine (PubChem CID 83825083) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine
PubChem CID83825083
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine
SMILESCOc1ccc(C2(F)CCCNC2)cc1Cl
InChIInChI=1S/C12H15ClFNO/c1-16-11-4-3-9(7-10(11)13)12(14)5-2-6-15-8-12/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyICDLJTDFPCZFLR-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine (CID 83825083) is 3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine is COc1ccc(C2(F)CCCNC2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine?
The InChIKey is ICDLJTDFPCZFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-16-11-4-3-9(7-10(11)13)12(14)5-2-6-15-8-12/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine?
3-(3-chloro-4-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-(3-chloro-4-methoxyphenyl)-3-fluoropiperidine is sourced from PubChem (CID 83825083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).