4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine

C14H20FNO — CID 84798690

IUPAC4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
SMILESCOc1c(C)cc(CC2CCNCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-10-7-12(9-13(15)14(10)17-2)8-11-3-5-16-6-4-11/h7,9,11,16H,3-6,8H2,1-2H3
InChIKeyHKAYKOUPSNVCKV-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.68
Rot. Bonds3

About 4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine

4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine (PubChem CID 84798690) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
PubChem CID84798690
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
SMILESCOc1c(C)cc(CC2CCNCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-10-7-12(9-13(15)14(10)17-2)8-11-3-5-16-6-4-11/h7,9,11,16H,3-6,8H2,1-2H3
InChIKeyHKAYKOUPSNVCKV-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

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Related Compounds

4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117382042
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360
3-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 84802170
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
2,3-dimethoxy-5-(piperidin-4-ylmethyl)benzaldehyde
CID 117413198
4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine
CID 117418071
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 117497386
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine (CID 84798690) is 4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine is COc1c(C)cc(CC2CCNCC2)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine?
The InChIKey is HKAYKOUPSNVCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-7-12(9-13(15)14(10)17-2)8-11-3-5-16-6-4-11/h7,9,11,16H,3-6,8H2,1-2H3.
What are the key properties of 4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine?
4-[(3-fluoro-4-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 4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84798690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).