2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine

C18H29FN2O2 — CID 95873253

IUPAC2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine
SMILESCOc1cc(F)c(CN2CCCC[C@@H]2CCN(C)C)cc1OC
InChIInChI=1S/C18H29FN2O2/c1-20(2)10-8-15-7-5-6-9-21(15)13-14-11-17(22-3)18(23-4)12-16(14)19/h11-12,15H,5-10,13H2,1-4H3/t15-/m1/s1
InChIKeyVFTSRFDUPATLNT-OAHLLOKOSA-N
MW324.44 g/mol
LogP3.15
Rot. Bonds7

About 2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine

2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine (PubChem CID 95873253) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine
PubChem CID95873253
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC Name2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine
SMILESCOc1cc(F)c(CN2CCCC[C@@H]2CCN(C)C)cc1OC
InChIInChI=1S/C18H29FN2O2/c1-20(2)10-8-15-7-5-6-9-21(15)13-14-11-17(22-3)18(23-4)12-16(14)19/h11-12,15H,5-10,13H2,1-4H3/t15-/m1/s1
InChIKeyVFTSRFDUPATLNT-OAHLLOKOSA-N
XLogP3.15
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine
CID 46977037
[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 99960060
N-[2-[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 112840806
2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 44827876
3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline
CID 107208527
[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62734794
2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
CID 103049964
3-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]propanoic acid
CID 104792731
(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 783211
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-methoxyaniline
CID 107208396
2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine
CID 95860953
1-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249976

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine (CID 95873253) is 2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine is COc1cc(F)c(CN2CCCC[C@@H]2CCN(C)C)cc1OC.
What is the InChIKey of 2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine?
The InChIKey is VFTSRFDUPATLNT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29FN2O2/c1-20(2)10-8-15-7-5-6-9-21(15)13-14-11-17(22-3)18(23-4)12-16(14)19/h11-12,15H,5-10,13H2,1-4H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine?
2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine has a molecular weight of 324.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 95873253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).