2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine

C16H24F2N2O — CID 102964868

IUPAC2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2ccc(C(F)F)cc2)CCC1C
InChIInChI=1S/C16H24F2N2O/c1-11-7-8-20(10-15(11)21-2)14(9-19)12-3-5-13(6-4-12)16(17)18/h3-6,11,14-16H,7-10,19H2,1-2H3
InChIKeyKECZKVQOHKOBNJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.98
Rot. Bonds5

About 2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine

2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine (PubChem CID 102964868) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
PubChem CID102964868
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2ccc(C(F)F)cc2)CCC1C
InChIInChI=1S/C16H24F2N2O/c1-11-7-8-20(10-15(11)21-2)14(9-19)12-3-5-13(6-4-12)16(17)18/h3-6,11,14-16H,7-10,19H2,1-2H3
InChIKeyKECZKVQOHKOBNJ-UHFFFAOYSA-N
XLogP2.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964877
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267
2-(2-ethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964789
2-(5-ethylfuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102965022
2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964850
2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964934
1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
CID 115524400
2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964895
1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956112
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524407
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531860

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine (CID 102964868) is 2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine is COC1CN(C(CN)c2ccc(C(F)F)cc2)CCC1C.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The InChIKey is KECZKVQOHKOBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-11-7-8-20(10-15(11)21-2)14(9-19)12-3-5-13(6-4-12)16(17)18/h3-6,11,14-16H,7-10,19H2,1-2H3.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine has a molecular weight of 298.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 102964868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).