2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine

C16H25FN2 — CID 103494730

IUPAC2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
SMILESCC(C)C1CCN(C(CN)c2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-12(2)13-6-8-19(9-7-13)16(11-18)14-4-3-5-15(17)10-14/h3-5,10,12-13,16H,6-9,11,18H2,1-2H3
InChIKeyMGSVVBMOOBVBGR-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.19
Rot. Bonds4

About 2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine

2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine (PubChem CID 103494730) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
PubChem CID103494730
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
SMILESCC(C)C1CCN(C(CN)c2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2/c1-12(2)13-6-8-19(9-7-13)16(11-18)14-4-3-5-15(17)10-14/h3-5,10,12-13,16H,6-9,11,18H2,1-2H3
InChIKeyMGSVVBMOOBVBGR-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 113416955
2-(3-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174272
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
2-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605201
2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
CID 115526779
2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199314
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-(3-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 60917996
2-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 106817440

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine (CID 103494730) is 2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine is CC(C)C1CCN(C(CN)c2cccc(F)c2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The InChIKey is MGSVVBMOOBVBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)13-6-8-19(9-7-13)16(11-18)14-4-3-5-15(17)10-14/h3-5,10,12-13,16H,6-9,11,18H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 103494730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).