3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine

C12H16ClFN2 — CID 68754232

IUPAC3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine
SMILESCNC1(c2cc(Cl)ccc2F)CCCNC1
InChIInChI=1S/C12H16ClFN2/c1-15-12(5-2-6-16-8-12)10-7-9(13)3-4-11(10)14/h3-4,7,15-16H,2,5-6,8H2,1H3
InChIKeyQUQLJPHLHQYWPB-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.28
Rot. Bonds2

About 3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine

3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine (PubChem CID 68754232) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine
PubChem CID68754232
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine
SMILESCNC1(c2cc(Cl)ccc2F)CCCNC1
InChIInChI=1S/C12H16ClFN2/c1-15-12(5-2-6-16-8-12)10-7-9(13)3-4-11(10)14/h3-4,7,15-16H,2,5-6,8H2,1H3
InChIKeyQUQLJPHLHQYWPB-UHFFFAOYSA-N
XLogP2.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine (CID 68754232) is 3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine is CNC1(c2cc(Cl)ccc2F)CCCNC1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine?
The InChIKey is QUQLJPHLHQYWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-15-12(5-2-6-16-8-12)10-7-9(13)3-4-11(10)14/h3-4,7,15-16H,2,5-6,8H2,1H3.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine?
3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine has a molecular weight of 242.72 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 68754232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).