3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine

C12H16ClFN2 — CID 59438449

IUPAC3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine
SMILESCN1CCCC(N)(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H16ClFN2/c1-16-6-2-5-12(15,8-16)9-3-4-11(14)10(13)7-9/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyZPNDOOFCOCTNKX-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.36
Rot. Bonds1

About 3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine

3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine (PubChem CID 59438449) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine
PubChem CID59438449
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine
SMILESCN1CCCC(N)(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H16ClFN2/c1-16-6-2-5-12(15,8-16)9-3-4-11(14)10(13)7-9/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyZPNDOOFCOCTNKX-UHFFFAOYSA-N
XLogP2.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine (CID 59438449) is 3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine is CN1CCCC(N)(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine?
The InChIKey is ZPNDOOFCOCTNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-16-6-2-5-12(15,8-16)9-3-4-11(14)10(13)7-9/h3-4,7H,2,5-6,8,15H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine?
3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine has a molecular weight of 242.72 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 59438449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).