1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide

C14H20FN3O — CID 115366710

IUPAC1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc(CN)c(F)c2)CC1
InChIInChI=1S/C14H20FN3O/c1-17-14(19)10-4-6-18(7-5-10)12-3-2-11(9-16)13(15)8-12/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyZANPIKGUPXCDGG-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.25
Rot. Bonds3

About 1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide

1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide (PubChem CID 115366710) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide
PubChem CID115366710
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ccc(CN)c(F)c2)CC1
InChIInChI=1S/C14H20FN3O/c1-17-14(19)10-4-6-18(7-5-10)12-3-2-11(9-16)13(15)8-12/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyZANPIKGUPXCDGG-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine
CID 113295404
1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194575
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 43576079
ethane;methyl 1-(3,4-difluorophenyl)piperidine-4-carboxylate
CID 144968521
(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
CID 115366694
1-(2-amino-3-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 60789324
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375
1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 112647193
N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide
CID 47131082
1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103195931

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide (CID 115366710) is 1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2ccc(CN)c(F)c2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is ZANPIKGUPXCDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-17-14(19)10-4-6-18(7-5-10)12-3-2-11(9-16)13(15)8-12/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19).
What are the key properties of 1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide?
1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 115366710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).