(3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine

C15H21F2NO3 — CID 178136922

IUPAC(3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine
SMILESCOc1cc([C@@H]2CCCNC2)c(OC)cc1COC(F)F
InChIInChI=1S/C15H21F2NO3/c1-19-13-7-12(10-4-3-5-18-8-10)14(20-2)6-11(13)9-21-15(16)17/h6-7,10,15,18H,3-5,8-9H2,1-2H3/t10-/m1/s1
InChIKeyYZYQGXPGRRVSDS-SNVBAGLBSA-N
MW301.33 g/mol
LogP2.91
Rot. Bonds6

About (3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine

(3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine (PubChem CID 178136922) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is (3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine
PubChem CID178136922
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Name(3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine
SMILESCOc1cc([C@@H]2CCCNC2)c(OC)cc1COC(F)F
InChIInChI=1S/C15H21F2NO3/c1-19-13-7-12(10-4-3-5-18-8-10)14(20-2)6-11(13)9-21-15(16)17/h6-7,10,15,18H,3-5,8-9H2,1-2H3/t10-/m1/s1
InChIKeyYZYQGXPGRRVSDS-SNVBAGLBSA-N
XLogP2.91
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
CID 117430926
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine
CID 117347386
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine
CID 117489901
(3S)-3-[5-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 162471999
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-(5-chloro-2-ethyl-3-methoxyphenyl)piperidine
CID 117387978

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine?
The IUPAC name of (3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine (CID 178136922) is (3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine.
What is the SMILES notation for (3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine?
The canonical SMILES for (3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine is COc1cc([C@@H]2CCCNC2)c(OC)cc1COC(F)F.
What is the InChIKey of (3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine?
The InChIKey is YZYQGXPGRRVSDS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21F2NO3/c1-19-13-7-12(10-4-3-5-18-8-10)14(20-2)6-11(13)9-21-15(16)17/h6-7,10,15,18H,3-5,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine?
(3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine has a molecular weight of 301.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine is sourced from PubChem (CID 178136922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).