N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine

C12H16ClFN2 — CID 88940791

IUPACN-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine
SMILESFc1ccc(CNCl)cc1C1CCNCC1
InChIInChI=1S/C12H16ClFN2/c13-16-8-9-1-2-12(14)11(7-9)10-3-5-15-6-4-10/h1-2,7,10,15-16H,3-6,8H2
InChIKeyCKDZROFNTDABOZ-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.54
Rot. Bonds3

About N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine

N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine (PubChem CID 88940791) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine.

Molecular Properties

Compound NameN-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine
PubChem CID88940791
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC NameN-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine
SMILESFc1ccc(CNCl)cc1C1CCNCC1
InChIInChI=1S/C12H16ClFN2/c13-16-8-9-1-2-12(14)11(7-9)10-3-5-15-6-4-10/h1-2,7,10,15-16H,3-6,8H2
InChIKeyCKDZROFNTDABOZ-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine?
The IUPAC name of N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine (CID 88940791) is N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine.
What is the SMILES notation for N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine?
The canonical SMILES for N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine is Fc1ccc(CNCl)cc1C1CCNCC1.
What is the InChIKey of N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine?
The InChIKey is CKDZROFNTDABOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-16-8-9-1-2-12(14)11(7-9)10-3-5-15-6-4-10/h1-2,7,10,15-16H,3-6,8H2.
What are the key properties of N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine?
N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine has a molecular weight of 242.72 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-(4-fluoro-3-piperidin-4-ylphenyl)methanamine is sourced from PubChem (CID 88940791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).