2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide

C15H22FN3O — CID 63555925

IUPAC2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCC1CCCC(CN)N1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-11-3-2-4-14(9-17)19(11)10-15(20)18-13-7-5-12(16)6-8-13/h5-8,11,14H,2-4,9-10,17H2,1H3,(H,18,20)
InChIKeyYRWQNQIEELHFFY-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.97
Rot. Bonds4

About 2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide

2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 63555925) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID63555925
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCC1CCCC(CN)N1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-11-3-2-4-14(9-17)19(11)10-15(20)18-13-7-5-12(16)6-8-13/h5-8,11,14H,2-4,9-10,17H2,1H3,(H,18,20)
InChIKeyYRWQNQIEELHFFY-UHFFFAOYSA-N
XLogP1.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110016946
N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 104967022
N-(2,4-difluorophenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 22197954
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 115963714
N-(4-fluorophenyl)-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546400
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
2-(aminomethyl)-N-(4-fluorophenyl)azepane-1-carboxamide
CID 116640093
N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928502
N-(3,4-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 78843301
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide (CID 63555925) is 2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide is CC1CCCC(CN)N1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is YRWQNQIEELHFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-3-2-4-14(9-17)19(11)10-15(20)18-13-7-5-12(16)6-8-13/h5-8,11,14H,2-4,9-10,17H2,1H3,(H,18,20).
What are the key properties of 2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 63555925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).