N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide

C16H24FN3O — CID 102736458

IUPACN-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(F)cc2C(C)N)CC1
InChIInChI=1S/C16H24FN3O/c1-11(18)15-9-14(17)3-4-16(15)20-7-5-13(6-8-20)10-19-12(2)21/h3-4,9,11,13H,5-8,10,18H2,1-2H3,(H,19,21)
InChIKeyHEZAIAFLLKVZIG-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.20
Rot. Bonds4

About N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide

N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736458) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736458
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(F)cc2C(C)N)CC1
InChIInChI=1S/C16H24FN3O/c1-11(18)15-9-14(17)3-4-16(15)20-7-5-13(6-8-20)10-19-12(2)21/h3-4,9,11,13H,5-8,10,18H2,1-2H3,(H,19,21)
InChIKeyHEZAIAFLLKVZIG-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl carbamate
CID 175174279
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
N-[[1-[2-(1-aminoethyl)-3-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736475
N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide
CID 102736626
ethyl 4-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 107877129
N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide
CID 107933077
2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372745
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
tert-butyl N-[[1-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]azetidin-2-yl]methyl]carbamate
CID 162353304
N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide
CID 102736611
N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 107532516
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide (CID 102736458) is N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccc(F)cc2C(C)N)CC1.
What is the InChIKey of N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is HEZAIAFLLKVZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-11(18)15-9-14(17)3-4-16(15)20-7-5-13(6-8-20)10-19-12(2)21/h3-4,9,11,13H,5-8,10,18H2,1-2H3,(H,19,21).
What are the key properties of N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 293.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).