2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine

C15H21F2NO — CID 117426620

IUPAC2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine
SMILESCOc1c(C2CCCCN2)cc(C)cc1C(C)(F)F
InChIInChI=1S/C15H21F2NO/c1-10-8-11(13-6-4-5-7-18-13)14(19-3)12(9-10)15(2,16)17/h8-9,13,18H,4-7H2,1-3H3
InChIKeyUSSQEURWJVDIBQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.93
Rot. Bonds3

About 2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine

2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine (PubChem CID 117426620) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine.

Molecular Properties

Compound Name2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine
PubChem CID117426620
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine
SMILESCOc1c(C2CCCCN2)cc(C)cc1C(C)(F)F
InChIInChI=1S/C15H21F2NO/c1-10-8-11(13-6-4-5-7-18-13)14(19-3)12(9-10)15(2,16)17/h8-9,13,18H,4-7H2,1-3H3
InChIKeyUSSQEURWJVDIBQ-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]pyrrolidine
CID 84702557
2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine
CID 117451731
4-[[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]methyl]piperidine
CID 117455594
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
2-methoxy-5,6-dimethyl-3-piperidin-2-ylphenol
CID 117343133
2-[[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117482277
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
2-fluoro-4-methyl-6-[(2R)-piperidin-2-yl]phenol
CID 131447438
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
CID 84686830
2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine
CID 117409054
2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol
CID 84698765

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine?
The IUPAC name of 2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine (CID 117426620) is 2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine.
What is the SMILES notation for 2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine?
The canonical SMILES for 2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine is COc1c(C2CCCCN2)cc(C)cc1C(C)(F)F.
What is the InChIKey of 2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine?
The InChIKey is USSQEURWJVDIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10-8-11(13-6-4-5-7-18-13)14(19-3)12(9-10)15(2,16)17/h8-9,13,18H,4-7H2,1-3H3.
What are the key properties of 2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine?
2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine has a molecular weight of 269.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]piperidine is sourced from PubChem (CID 117426620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).