1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one

C14H19FN2O — CID 113440359

IUPAC1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(Cc2cc(CN)ccc2F)C1=O
InChIInChI=1S/C14H19FN2O/c1-10-3-2-6-17(14(10)18)9-12-7-11(8-16)4-5-13(12)15/h4-5,7,10H,2-3,6,8-9,16H2,1H3
InChIKeyAJJYYASTJFDZMA-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.04
Rot. Bonds3

About 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one

1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one (PubChem CID 113440359) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one
PubChem CID113440359
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(Cc2cc(CN)ccc2F)C1=O
InChIInChI=1S/C14H19FN2O/c1-10-3-2-6-17(14(10)18)9-12-7-11(8-16)4-5-13(12)15/h4-5,7,10H,2-3,6,8-9,16H2,1H3
InChIKeyAJJYYASTJFDZMA-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one
CID 104679826
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-4-ethylpiperazine-2,5-dione
CID 79936353
1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one
CID 104680275
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-2-one
CID 104680265
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160
[4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 81199439
1-[(2-amino-5-nitrophenyl)methyl]-3-methylpiperidin-2-one
CID 104680397
1-[[3-(aminomethyl)-4-fluorophenyl]methyl]azepan-2-one
CID 114012007
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
CID 62943367
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 43576079
4-[[5-(aminomethyl)-2-fluorophenyl]methyl]-1,4-diazepan-2-one
CID 65361334

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one (CID 113440359) is 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one is CC1CCCN(Cc2cc(CN)ccc2F)C1=O.
What is the InChIKey of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one?
The InChIKey is AJJYYASTJFDZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-3-2-6-17(14(10)18)9-12-7-11(8-16)4-5-13(12)15/h4-5,7,10H,2-3,6,8-9,16H2,1H3.
What are the key properties of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one?
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one has a molecular weight of 250.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 113440359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).