2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine

C16H25FN2 — CID 63156587

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
SMILESCCC1(C)CCN(C(CN)c2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-3-16(2)7-9-19(10-8-16)15(12-18)13-5-4-6-14(17)11-13/h4-6,11,15H,3,7-10,12,18H2,1-2H3
InChIKeyKXOXYHVJSYFRJS-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.34
Rot. Bonds4

About 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine

2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine (PubChem CID 63156587) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
PubChem CID63156587
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
SMILESCCC1(C)CCN(C(CN)c2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-3-16(2)7-9-19(10-8-16)15(12-18)13-5-4-6-14(17)11-13/h4-6,11,15H,3,7-10,12,18H2,1-2H3
InChIKeyKXOXYHVJSYFRJS-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 63156191
2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157455
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 106817408
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157457
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(furan-3-yl)ethanamine
CID 55163205
4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline
CID 63157411
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605201
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 62935470

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine (CID 63156587) is 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine is CCC1(C)CCN(C(CN)c2cccc(F)c2)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is KXOXYHVJSYFRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(2)7-9-19(10-8-16)15(12-18)13-5-4-6-14(17)11-13/h4-6,11,15H,3,7-10,12,18H2,1-2H3.
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine?
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 63156587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).