2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine

C14H21FN2O — CID 82692849

IUPAC2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine
SMILESNCCOC1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c15-13-3-1-2-12(10-13)11-17-7-4-14(5-8-17)18-9-6-16/h1-3,10,14H,4-9,11,16H2
InChIKeyYKSIMLLXQRAXNO-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.77
Rot. Bonds5

About 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine

2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine (PubChem CID 82692849) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine
PubChem CID82692849
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine
SMILESNCCOC1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c15-13-3-1-2-12(10-13)11-17-7-4-14(5-8-17)18-9-6-16/h1-3,10,14H,4-9,11,16H2
InChIKeyYKSIMLLXQRAXNO-UHFFFAOYSA-N
XLogP1.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692295
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732597
2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyethanamine
CID 82689141
3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732218
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 79736194
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
3-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]phenol
CID 82701584
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62593105
2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 115883414

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine (CID 82692849) is 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine is NCCOC1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine?
The InChIKey is YKSIMLLXQRAXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c15-13-3-1-2-12(10-13)11-17-7-4-14(5-8-17)18-9-6-16/h1-3,10,14H,4-9,11,16H2.
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine?
2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine has a molecular weight of 252.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 82692849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).