1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide

C14H20FN3O — CID 106530749

IUPAC1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide
SMILESCNCc1cc(F)cc(N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H20FN3O/c1-17-9-10-6-12(15)8-13(7-10)18-4-2-11(3-5-18)14(16)19/h6-8,11,17H,2-5,9H2,1H3,(H2,16,19)
InChIKeyLRYDKVUOFVZKHN-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.25
Rot. Bonds4

About 1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide

1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide (PubChem CID 106530749) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide
PubChem CID106530749
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide
SMILESCNCc1cc(F)cc(N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H20FN3O/c1-17-9-10-6-12(15)8-13(7-10)18-4-2-11(3-5-18)14(16)19/h6-8,11,17H,2-5,9H2,1H3,(H2,16,19)
InChIKeyLRYDKVUOFVZKHN-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide
CID 102813342
1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 106530754
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 106530805
1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 106530891
1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 106530804
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530994
1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 63076453
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine
CID 107366614
1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol
CID 106836470
1-[4-[3-(aminomethyl)-5-fluorophenyl]piperazin-1-yl]ethanone
CID 102813334

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide (CID 106530749) is 1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide is CNCc1cc(F)cc(N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is LRYDKVUOFVZKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-17-9-10-6-12(15)8-13(7-10)18-4-2-11(3-5-18)14(16)19/h6-8,11,17H,2-5,9H2,1H3,(H2,16,19).
What are the key properties of 1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide?
1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 106530749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).