1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine

C16H24FNO2 — CID 139472470

IUPAC1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine
SMILESCOCCCOc1cccc(F)c1CN1CCCCC1
InChIInChI=1S/C16H24FNO2/c1-19-11-6-12-20-16-8-5-7-15(17)14(16)13-18-9-3-2-4-10-18/h5,7-8H,2-4,6,9-13H2,1H3
InChIKeySRFHFBQKYPXOLY-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.23
Rot. Bonds7

About 1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine

1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine (PubChem CID 139472470) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine
PubChem CID139472470
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine
SMILESCOCCCOc1cccc(F)c1CN1CCCCC1
InChIInChI=1S/C16H24FNO2/c1-19-11-6-12-20-16-8-5-7-15(17)14(16)13-18-9-3-2-4-10-18/h5,7-8H,2-4,6,9-13H2,1H3
InChIKeySRFHFBQKYPXOLY-UHFFFAOYSA-N
XLogP3.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine
CID 139472444
1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine
CID 135155342
ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
CID 144598997
1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
CID 70699630
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103413941
1-[3-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine
CID 168514292
3-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]aniline
CID 63971877
2-chloro-1-[4-[(2-ethoxy-6-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 170962152
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940
[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]urea
CID 118272184
1-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 4254699
2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine?
The IUPAC name of 1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine (CID 139472470) is 1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine is COCCCOc1cccc(F)c1CN1CCCCC1.
What is the InChIKey of 1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine?
The InChIKey is SRFHFBQKYPXOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-19-11-6-12-20-16-8-5-7-15(17)14(16)13-18-9-3-2-4-10-18/h5,7-8H,2-4,6,9-13H2,1H3.
What are the key properties of 1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine?
1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine has a molecular weight of 281.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-6-(3-methoxypropoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 139472470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).