2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine

C13H26FN3 — CID 163854655

IUPAC2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine
SMILESCN1CCC(F)CC1C1CC(C)(N)CCN1C
InChIInChI=1S/C13H26FN3/c1-13(15)5-7-17(3)12(9-13)11-8-10(14)4-6-16(11)2/h10-12H,4-9,15H2,1-3H3
InChIKeyOXHLPUIWOYPLQA-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.23
Rot. Bonds1

About 2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine

2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine (PubChem CID 163854655) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine
PubChem CID163854655
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine
SMILESCN1CCC(F)CC1C1CC(C)(N)CCN1C
InChIInChI=1S/C13H26FN3/c1-13(15)5-7-17(3)12(9-13)11-8-10(14)4-6-16(11)2/h10-12H,4-9,15H2,1-3H3
InChIKeyOXHLPUIWOYPLQA-UHFFFAOYSA-N
XLogP1.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine?
The IUPAC name of 2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine (CID 163854655) is 2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine?
The canonical SMILES for 2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine is CN1CCC(F)CC1C1CC(C)(N)CCN1C.
What is the InChIKey of 2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine?
The InChIKey is OXHLPUIWOYPLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN3/c1-13(15)5-7-17(3)12(9-13)11-8-10(14)4-6-16(11)2/h10-12H,4-9,15H2,1-3H3.
What are the key properties of 2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine?
2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine has a molecular weight of 243.37 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 163854655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).