3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine

C13H17ClFNO — CID 117397957

IUPAC3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine
SMILESCOCc1cc(Cl)c(F)c(C2CCCNC2)c1
InChIInChI=1S/C13H17ClFNO/c1-17-8-9-5-11(13(15)12(14)6-9)10-3-2-4-16-7-10/h5-6,10,16H,2-4,7-8H2,1H3
InChIKeyKENGONOFTZGEJH-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.09
Rot. Bonds3

About 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine

3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine (PubChem CID 117397957) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine.

Molecular Properties

Compound Name3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine
PubChem CID117397957
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine
SMILESCOCc1cc(Cl)c(F)c(C2CCCNC2)c1
InChIInChI=1S/C13H17ClFNO/c1-17-8-9-5-11(13(15)12(14)6-9)10-3-2-4-16-7-10/h5-6,10,16H,2-4,7-8H2,1H3
InChIKeyKENGONOFTZGEJH-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 84680018
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
3-(2,3,4,5-tetrafluorophenyl)piperidine
CID 117116503
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine
CID 117417679
3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine
CID 117479597
3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
CID 117412926
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
3-(2,3,5-trifluoro-4-methylsulfanylphenyl)piperidine
CID 117407297

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine?
The IUPAC name of 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine (CID 117397957) is 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine.
What is the SMILES notation for 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine?
The canonical SMILES for 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine is COCc1cc(Cl)c(F)c(C2CCCNC2)c1.
What is the InChIKey of 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine?
The InChIKey is KENGONOFTZGEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-17-8-9-5-11(13(15)12(14)6-9)10-3-2-4-16-7-10/h5-6,10,16H,2-4,7-8H2,1H3.
What are the key properties of 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine?
3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine has a molecular weight of 257.74 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine is sourced from PubChem (CID 117397957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).