2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine

C15H22F2N2O — CID 102964877

IUPAC2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2ccc(F)c(F)c2)CCC1C
InChIInChI=1S/C15H22F2N2O/c1-10-5-6-19(9-15(10)20-2)14(8-18)11-3-4-12(16)13(17)7-11/h3-4,7,10,14-15H,5-6,8-9,18H2,1-2H3
InChIKeyPUNPOUJPBFKTPF-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.32
Rot. Bonds4

About 2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine

2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine (PubChem CID 102964877) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
PubChem CID102964877
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2ccc(F)c(F)c2)CCC1C
InChIInChI=1S/C15H22F2N2O/c1-10-5-6-19(9-15(10)20-2)14(8-18)11-3-4-12(16)13(17)7-11/h3-4,7,10,14-15H,5-6,8-9,18H2,1-2H3
InChIKeyPUNPOUJPBFKTPF-UHFFFAOYSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531860
2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964868
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964850
2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988466
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-(3-fluoro-4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 65096664
2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964934
2-(3,4-difluorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562470
2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
CID 114843422

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine (CID 102964877) is 2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine is COC1CN(C(CN)c2ccc(F)c(F)c2)CCC1C.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The InChIKey is PUNPOUJPBFKTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-10-5-6-19(9-15(10)20-2)14(8-18)11-3-4-12(16)13(17)7-11/h3-4,7,10,14-15H,5-6,8-9,18H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine has a molecular weight of 284.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 102964877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).