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

C17H26FNO2 — CID 117476126

IUPAC4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine
SMILESCOc1cc(OC)c(C(C)(C)F)cc1CC1CCNCC1
InChIInChI=1S/C17H26FNO2/c1-17(2,18)14-10-13(9-12-5-7-19-8-6-12)15(20-3)11-16(14)21-4/h10-12,19H,5-9H2,1-4H3
InChIKeySOWFWJYJLWGUFP-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.45
Rot. Bonds5

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

4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine (PubChem CID 117476126) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine
PubChem CID117476126
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine
SMILESCOc1cc(OC)c(C(C)(C)F)cc1CC1CCNCC1
InChIInChI=1S/C17H26FNO2/c1-17(2,18)14-10-13(9-12-5-7-19-8-6-12)15(20-3)11-16(14)21-4/h10-12,19H,5-9H2,1-4H3
InChIKeySOWFWJYJLWGUFP-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

3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413201
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine
CID 117421917
4-[[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]methyl]piperidine
CID 117455594
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[[2,5-dimethoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 117488368
methyl 2-hydroxy-4-methoxy-5-(piperidin-4-ylmethyl)benzoate
CID 117447967

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine?
The IUPAC name of 4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine (CID 117476126) is 4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine.
What is the SMILES notation for 4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine?
The canonical SMILES for 4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine is COc1cc(OC)c(C(C)(C)F)cc1CC1CCNCC1.
What is the InChIKey of 4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine?
The InChIKey is SOWFWJYJLWGUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-17(2,18)14-10-13(9-12-5-7-19-8-6-12)15(20-3)11-16(14)21-4/h10-12,19H,5-9H2,1-4H3.
What are the key properties of 4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine?
4-[[5-(2-fluoropropan-2-yl)-2,4-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 4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine is sourced from PubChem (CID 117476126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).