1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide

C15H22FN3O — CID 43576079

IUPAC1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cc(CN)ccc2F)CC1
InChIInChI=1S/C15H22FN3O/c1-18-15(20)12-4-6-19(7-5-12)10-13-8-11(9-17)2-3-14(13)16/h2-3,8,12H,4-7,9-10,17H2,1H3,(H,18,20)
InChIKeyPEUXTAMPAJEXLS-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.24
Rot. Bonds4

About 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide

1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 43576079) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID43576079
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cc(CN)ccc2F)CC1
InChIInChI=1S/C15H22FN3O/c1-18-15(20)12-4-6-19(7-5-12)10-13-8-11(9-17)2-3-14(13)16/h2-3,8,12H,4-7,9-10,17H2,1H3,(H,18,20)
InChIKeyPEUXTAMPAJEXLS-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide 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-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 114478612
methyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383148
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 79582712
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
CID 62943367
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383296
1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 114380391
1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide
CID 115366710
1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
CID 63846321
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide
CID 43576087
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide (CID 43576079) is 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2cc(CN)ccc2F)CC1.
What is the InChIKey of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is PEUXTAMPAJEXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-18-15(20)12-4-6-19(7-5-12)10-13-8-11(9-17)2-3-14(13)16/h2-3,8,12H,4-7,9-10,17H2,1H3,(H,18,20).
What are the key properties of 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide?
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 43576079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).