3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine

C14H20FNO — CID 84798639

IUPAC3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)c(F)cc1C
InChIInChI=1S/C14H20FNO/c1-10-6-13(15)12(8-14(10)17-2)7-11-4-3-5-16-9-11/h6,8,11,16H,3-5,7,9H2,1-2H3
InChIKeyIYKKANVMVXFSPS-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.68
Rot. Bonds3

About 3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine

3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine (PubChem CID 84798639) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
PubChem CID84798639
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)c(F)cc1C
InChIInChI=1S/C14H20FNO/c1-10-6-13(15)12(8-14(10)17-2)7-11-4-3-5-16-9-11/h6,8,11,16H,3-5,7,9H2,1-2H3
InChIKeyIYKKANVMVXFSPS-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

3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84789080
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
CID 84798655
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117377185
5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol
CID 84787982
3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117451785
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine?
The IUPAC name of 3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine (CID 84798639) is 3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine is COc1cc(CC2CCCNC2)c(F)cc1C.
What is the InChIKey of 3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine?
The InChIKey is IYKKANVMVXFSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-6-13(15)12(8-14(10)17-2)7-11-4-3-5-16-9-11/h6,8,11,16H,3-5,7,9H2,1-2H3.
What are the key properties of 3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine?
3-[(2-fluoro-5-methoxy-4-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-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84798639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).