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

C15H22FNO2 — CID 117422077

IUPAC2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1c(F)ccc(CC2CCCCN2)c1OC
InChIInChI=1S/C15H22FNO2/c1-18-10-13-14(16)7-6-11(15(13)19-2)9-12-5-3-4-8-17-12/h6-7,12,17H,3-5,8-10H2,1-2H3
InChIKeyLVVJDBCJWVNDGL-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.67
Rot. Bonds5

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

2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine (PubChem CID 117422077) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine
PubChem CID117422077
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1c(F)ccc(CC2CCCCN2)c1OC
InChIInChI=1S/C15H22FNO2/c1-18-10-13-14(16)7-6-11(15(13)19-2)9-12-5-3-4-8-17-12/h6-7,12,17H,3-5,8-10H2,1-2H3
InChIKeyLVVJDBCJWVNDGL-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117451909
2-[(6-bromo-3-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 117465019
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
CID 117448273
2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117448266
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
CID 117422294
2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine
CID 117413480
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117366133

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine?
The IUPAC name of 2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine (CID 117422077) is 2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine is COCc1c(F)ccc(CC2CCCCN2)c1OC.
What is the InChIKey of 2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine?
The InChIKey is LVVJDBCJWVNDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-18-10-13-14(16)7-6-11(15(13)19-2)9-12-5-3-4-8-17-12/h6-7,12,17H,3-5,8-10H2,1-2H3.
What are the key properties of 2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine?
2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine has a molecular weight of 267.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117422077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).