N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine

C17H27FN2 — CID 79407253

IUPACN-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(C(C)c2ccccc2F)C(C)C1C
InChIInChI=1S/C17H27FN2/c1-5-19-17-10-11-20(13(3)12(17)2)14(4)15-8-6-7-9-16(15)18/h6-9,12-14,17,19H,5,10-11H2,1-4H3
InChIKeyBAYUTHNWMJGRAE-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.60
Rot. Bonds4

About N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine

N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine (PubChem CID 79407253) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine
PubChem CID79407253
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(C(C)c2ccccc2F)C(C)C1C
InChIInChI=1S/C17H27FN2/c1-5-19-17-10-11-20(13(3)12(17)2)14(4)15-8-6-7-9-16(15)18/h6-9,12-14,17,19H,5,10-11H2,1-4H3
InChIKeyBAYUTHNWMJGRAE-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine
CID 79413405
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396947
1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397433
N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 79407315
1-(2,3-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397318
N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine
CID 79397893
N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 79406765
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396570
1-(2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397280
5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine
CID 64945888
1-(2,5-dichlorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397871
3-ethyl-N-[1-(2-fluorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 64923126

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine (CID 79407253) is N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine is CCNC1CCN(C(C)c2ccccc2F)C(C)C1C.
What is the InChIKey of N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine?
The InChIKey is BAYUTHNWMJGRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-5-19-17-10-11-20(13(3)12(17)2)14(4)15-8-6-7-9-16(15)18/h6-9,12-14,17,19H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine?
N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine has a molecular weight of 278.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79407253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).