(2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine

C17H27F2NO2S — CID 169140720

IUPAC(2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine
SMILESCOCCN1CC[C@@H](OCCc2csc(CC(F)F)c2)C[C@@H]1C
InChIInChI=1S/C17H27F2NO2S/c1-13-9-15(3-5-20(13)6-8-21-2)22-7-4-14-10-16(23-12-14)11-17(18)19/h10,12-13,15,17H,3-9,11H2,1-2H3/t13-,15+/m0/s1
InChIKeyFFGFAEMQDMXKTB-DZGCQCFKSA-N
MW347.47 g/mol
LogP3.61
Rot. Bonds9

About (2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine

(2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine (PubChem CID 169140720) has the molecular formula C17H27F2NO2S and a molecular weight of 347.47 g/mol. Its IUPAC name is (2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine.

Molecular Properties

Compound Name(2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine
PubChem CID169140720
Molecular FormulaC17H27F2NO2S
Molecular Weight347.47 g/mol
Exact Mass347.17
IUPAC Name(2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine
SMILESCOCCN1CC[C@@H](OCCc2csc(CC(F)F)c2)C[C@@H]1C
InChIInChI=1S/C17H27F2NO2S/c1-13-9-15(3-5-20(13)6-8-21-2)22-7-4-14-10-16(23-12-14)11-17(18)19/h10,12-13,15,17H,3-9,11H2,1-2H3/t13-,15+/m0/s1
InChIKeyFFGFAEMQDMXKTB-DZGCQCFKSA-N
XLogP3.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[2-(5-chlorothiophen-3-yl)ethoxy]-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-2-methylpiperidine
CID 169139689
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CID 175636416
(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
CID 99995143
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CID 130723594
1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine
CID 103181634
1-(2-cyclohexyloxyethyl)-2-methylpiperidin-4-amine
CID 55260112
1-methyl-4-(2-phenylethoxy)piperidine
CID 18722996
(2S)-2-[4-(2-phenylethoxy)piperidin-1-yl]butanoic acid
CID 124623051
4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol
CID 114221675
2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine
CID 102784971
2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 119880268
1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol
CID 155302648

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine?
The IUPAC name of (2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine (CID 169140720) is (2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine.
What is the SMILES notation for (2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine?
The canonical SMILES for (2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine is COCCN1CC[C@@H](OCCc2csc(CC(F)F)c2)C[C@@H]1C.
What is the InChIKey of (2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine?
The InChIKey is FFGFAEMQDMXKTB-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H27F2NO2S/c1-13-9-15(3-5-20(13)6-8-21-2)22-7-4-14-10-16(23-12-14)11-17(18)19/h10,12-13,15,17H,3-9,11H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine?
(2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine has a molecular weight of 347.47 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[2-[5-(2,2-difluoroethyl)thiophen-3-yl]ethoxy]-1-(2-methoxyethyl)-2-methylpiperidine is sourced from PubChem (CID 169140720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).