4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane

C17H27F2NO — CID 170588684

IUPAC4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane
SMILESCC.COc1cccc(CCN2CCC(F)(F)CC2)c1C
InChIInChI=1S/C15H21F2NO.C2H6/c1-12-13(4-3-5-14(12)19-2)6-9-18-10-7-15(16,17)8-11-18;1-2/h3-5H,6-11H2,1-2H3;1-2H3
InChIKeyXHFZJHUSFVTDAK-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.30
Rot. Bonds4

About 4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane

4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane (PubChem CID 170588684) has the molecular formula C17H27F2NO and a molecular weight of 299.41 g/mol. Its IUPAC name is 4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane.

Molecular Properties

Compound Name4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane
PubChem CID170588684
Molecular FormulaC17H27F2NO
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane
SMILESCC.COc1cccc(CCN2CCC(F)(F)CC2)c1C
InChIInChI=1S/C15H21F2NO.C2H6/c1-12-13(4-3-5-14(12)19-2)6-9-18-10-7-15(16,17)8-11-18;1-2/h3-5H,6-11H2,1-2H3;1-2H3
InChIKeyXHFZJHUSFVTDAK-UHFFFAOYSA-N
XLogP4.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,3-dimethylphenyl)ethyl]-4-methylpiperidin-4-amine
CID 82295600
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine
CID 117429080
1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
CID 77088646
1-[2-(2-methyl-3-propan-2-ylphenyl)ethyl]piperidine
CID 177292070
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylsulfanylpiperidine-4-carbonitrile
CID 104792132
4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione
CID 82118888
(2,3-dimethoxyphenyl)-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 18786048

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane?
The IUPAC name of 4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane (CID 170588684) is 4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane.
What is the SMILES notation for 4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane?
The canonical SMILES for 4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane is CC.COc1cccc(CCN2CCC(F)(F)CC2)c1C.
What is the InChIKey of 4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane?
The InChIKey is XHFZJHUSFVTDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO.C2H6/c1-12-13(4-3-5-14(12)19-2)6-9-18-10-7-15(16,17)8-11-18;1-2/h3-5H,6-11H2,1-2H3;1-2H3.
What are the key properties of 4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane?
4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane has a molecular weight of 299.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[2-(3-methoxy-2-methylphenyl)ethyl]piperidine;ethane is sourced from PubChem (CID 170588684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).