3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine

C17H26FNO2 — CID 117476118

IUPAC3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
SMILESCOc1cc(C(C)(C)F)c(OC)cc1CC1CCCNC1
InChIInChI=1S/C17H26FNO2/c1-17(2,18)14-10-15(20-3)13(9-16(14)21-4)8-12-6-5-7-19-11-12/h9-10,12,19H,5-8,11H2,1-4H3
InChIKeyGGWYGFQINICINC-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.45
Rot. Bonds5

About 3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine

3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine (PubChem CID 117476118) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
PubChem CID117476118
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
SMILESCOc1cc(C(C)(C)F)c(OC)cc1CC1CCCNC1
InChIInChI=1S/C17H26FNO2/c1-17(2,18)14-10-15(20-3)13(9-16(14)21-4)8-12-6-5-7-19-11-12/h9-10,12,19H,5-8,11H2,1-4H3
InChIKeyGGWYGFQINICINC-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117476126
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methyl]piperidine
CID 117371537
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine
CID 117448101
3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117451785
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine
CID 117413191

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine?
The IUPAC name of 3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine (CID 117476118) is 3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine.
What is the SMILES notation for 3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine?
The canonical SMILES for 3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine is COc1cc(C(C)(C)F)c(OC)cc1CC1CCCNC1.
What is the InChIKey of 3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine?
The InChIKey is GGWYGFQINICINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-17(2,18)14-10-15(20-3)13(9-16(14)21-4)8-12-6-5-7-19-11-12/h9-10,12,19H,5-8,11H2,1-4H3.
What are the key properties of 3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine?
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine has a molecular weight of 295.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine is sourced from PubChem (CID 117476118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).