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

C14H21FN2 — CID 16793952

IUPAC2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN2/c1-11-5-7-17(8-6-11)14(10-16)12-3-2-4-13(15)9-12/h2-4,9,11,14H,5-8,10,16H2,1H3
InChIKeySKWHWOWBDCPJGZ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.56
Rot. Bonds3

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

2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 16793952) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID16793952
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN2/c1-11-5-7-17(8-6-11)14(10-16)12-3-2-4-13(15)9-12/h2-4,9,11,14H,5-8,10,16H2,1H3
InChIKeySKWHWOWBDCPJGZ-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 79984630
2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 81436946
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-(4-ethyl-3-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605201
2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199314
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine (CID 16793952) is 2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN(C(CN)c2cccc(F)c2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is SKWHWOWBDCPJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-5-7-17(8-6-11)14(10-16)12-3-2-4-13(15)9-12/h2-4,9,11,14H,5-8,10,16H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.56, 3 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-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 16793952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).