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

C14H20FNO — CID 84798655

IUPAC3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
SMILESCOc1c(F)cc(C)cc1CC1CCCNC1
InChIInChI=1S/C14H20FNO/c1-10-6-12(14(17-2)13(15)7-10)8-11-4-3-5-16-9-11/h6-7,11,16H,3-5,8-9H2,1-2H3
InChIKeyVVJGCXAWYFTSRC-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.68
Rot. Bonds3

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

3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine (PubChem CID 84798655) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
PubChem CID84798655
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
SMILESCOc1c(F)cc(C)cc1CC1CCCNC1
InChIInChI=1S/C14H20FNO/c1-10-6-12(14(17-2)13(15)7-10)8-11-4-3-5-16-9-11/h6-7,11,16H,3-5,8-9H2,1-2H3
InChIKeyVVJGCXAWYFTSRC-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[(3-bromo-2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 84812895
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117437157
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117485588
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine
CID 117497365

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine?
The IUPAC name of 3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine (CID 84798655) is 3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine is COc1c(F)cc(C)cc1CC1CCCNC1.
What is the InChIKey of 3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine?
The InChIKey is VVJGCXAWYFTSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-6-12(14(17-2)13(15)7-10)8-11-4-3-5-16-9-11/h6-7,11,16H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine?
3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine has a molecular weight of 237.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84798655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).