N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine

C13H18ClFN2O — CID 123397570

IUPACN-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine
SMILESCOC1CCN(c2ccc(F)c(CNCl)c2)CC1
InChIInChI=1S/C13H18ClFN2O/c1-18-12-4-6-17(7-5-12)11-2-3-13(15)10(8-11)9-16-14/h2-3,8,12,16H,4-7,9H2,1H3
InChIKeyAZHFENKBMMFLSS-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.68
Rot. Bonds4

About N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine

N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine (PubChem CID 123397570) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine
PubChem CID123397570
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC NameN-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine
SMILESCOC1CCN(c2ccc(F)c(CNCl)c2)CC1
InChIInChI=1S/C13H18ClFN2O/c1-18-12-4-6-17(7-5-12)11-2-3-13(15)10(8-11)9-16-14/h2-3,8,12,16H,4-7,9H2,1H3
InChIKeyAZHFENKBMMFLSS-UHFFFAOYSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine 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-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine
CID 84750840
1-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
CID 90124019
N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114848126
1-[4-chloro-2-(chloromethyl)phenyl]-4-methoxypiperidine
CID 114846387
[1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate
CID 68802323
ethane;methyl 1-(3,4-difluorophenyl)piperidine-4-carboxylate
CID 144968521
[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methanamine
CID 63082823
[4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 166607182
methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate
CID 59023366
N-[[3-fluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058425
1-(2-fluorophenyl)-4-methoxypiperidine
CID 15403847
N-[[3,5-difluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63052451

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine?
The IUPAC name of N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine (CID 123397570) is N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine is COC1CCN(c2ccc(F)c(CNCl)c2)CC1.
What is the InChIKey of N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine?
The InChIKey is AZHFENKBMMFLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-18-12-4-6-17(7-5-12)11-2-3-13(15)10(8-11)9-16-14/h2-3,8,12,16H,4-7,9H2,1H3.
What are the key properties of N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine?
N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine has a molecular weight of 272.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 123397570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).