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

C15H22FNO2 — CID 117422106

IUPAC4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1cc(OC)c(F)cc1CC1CCNCC1
InChIInChI=1S/C15H22FNO2/c1-18-10-13-9-15(19-2)14(16)8-12(13)7-11-3-5-17-6-4-11/h8-9,11,17H,3-7,10H2,1-2H3
InChIKeyRNUZUXJMJVQNOT-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.52
Rot. Bonds5

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

4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine (PubChem CID 117422106) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine
PubChem CID117422106
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1cc(OC)c(F)cc1CC1CCNCC1
InChIInChI=1S/C15H22FNO2/c1-18-10-13-9-15(19-2)14(16)8-12(13)7-11-3-5-17-6-4-11/h8-9,11,17H,3-7,10H2,1-2H3
InChIKeyRNUZUXJMJVQNOT-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84789080
4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine
CID 117387719
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 117398047
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine (CID 117422106) is 4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine is COCc1cc(OC)c(F)cc1CC1CCNCC1.
What is the InChIKey of 4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine?
The InChIKey is RNUZUXJMJVQNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-18-10-13-9-15(19-2)14(16)8-12(13)7-11-3-5-17-6-4-11/h8-9,11,17H,3-7,10H2,1-2H3.
What are the key properties of 4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine?
4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine has a molecular weight of 267.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117422106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).