4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine

C14H20FNO2 — CID 117386422

IUPAC4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine
SMILESCOCc1cc(F)c(OC)c(C2CCNCC2)c1
InChIInChI=1S/C14H20FNO2/c1-17-9-10-7-12(11-3-5-16-6-4-11)14(18-2)13(15)8-10/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyYLSXBMOODNEDKR-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.45
Rot. Bonds4

About 4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine

4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine (PubChem CID 117386422) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine
PubChem CID117386422
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine
SMILESCOCc1cc(F)c(OC)c(C2CCNCC2)c1
InChIInChI=1S/C14H20FNO2/c1-17-9-10-7-12(11-3-5-16-6-4-11)14(18-2)13(15)8-10/h7-8,11,16H,3-6,9H2,1-2H3
InChIKeyYLSXBMOODNEDKR-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117382003
4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine
CID 117435548
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
4-[2-methoxy-3-(methoxymethyl)phenyl]piperidine
CID 117343038
3-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]pyrrolidine
CID 117351158
2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
CID 84799689
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304
4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117382042
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine?
The IUPAC name of 4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine (CID 117386422) is 4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine.
What is the SMILES notation for 4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine?
The canonical SMILES for 4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine is COCc1cc(F)c(OC)c(C2CCNCC2)c1.
What is the InChIKey of 4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine?
The InChIKey is YLSXBMOODNEDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-9-10-7-12(11-3-5-16-6-4-11)14(18-2)13(15)8-10/h7-8,11,16H,3-6,9H2,1-2H3.
What are the key properties of 4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine?
4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine has a molecular weight of 253.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine is sourced from PubChem (CID 117386422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).