3-[(5-fluoro-2-methylphenyl)methoxy]piperidine

C13H18FNO — CID 112694932

IUPAC3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
SMILESCc1ccc(F)cc1COC1CCCNC1
InChIInChI=1S/C13H18FNO/c1-10-4-5-12(14)7-11(10)9-16-13-3-2-6-15-8-13/h4-5,7,13,15H,2-3,6,8-9H2,1H3
InChIKeyJNWCMADHLILKRU-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.40
Rot. Bonds3

About 3-[(5-fluoro-2-methylphenyl)methoxy]piperidine

3-[(5-fluoro-2-methylphenyl)methoxy]piperidine (PubChem CID 112694932) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)methoxy]piperidine.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
PubChem CID112694932
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
SMILESCc1ccc(F)cc1COC1CCCNC1
InChIInChI=1S/C13H18FNO/c1-10-4-5-12(14)7-11(10)9-16-13-3-2-6-15-8-13/h4-5,7,13,15H,2-3,6,8-9H2,1H3
InChIKeyJNWCMADHLILKRU-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
CID 66246791
(3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine
CID 68927392
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
(3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 66247179
3-[(3-bromo-2-fluorophenyl)methoxy]piperidine
CID 146023940
(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine
CID 66245197
2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol
CID 68923378
2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol
CID 68923382
(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine
CID 68922885
(3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine
CID 126671210
3-fluoro-4-(piperidin-3-yloxymethyl)benzamide
CID 62328013
1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone
CID 84755326

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)methoxy]piperidine?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)methoxy]piperidine (CID 112694932) is 3-[(5-fluoro-2-methylphenyl)methoxy]piperidine.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)methoxy]piperidine?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)methoxy]piperidine is Cc1ccc(F)cc1COC1CCCNC1.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)methoxy]piperidine?
The InChIKey is JNWCMADHLILKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-4-5-12(14)7-11(10)9-16-13-3-2-6-15-8-13/h4-5,7,13,15H,2-3,6,8-9H2,1H3.
What are the key properties of 3-[(5-fluoro-2-methylphenyl)methoxy]piperidine?
3-[(5-fluoro-2-methylphenyl)methoxy]piperidine has a molecular weight of 223.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methylphenyl)methoxy]piperidine is sourced from PubChem (CID 112694932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).