N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine

C13H24F2N2 — CID 114223902

IUPACN-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCC1CCC(F)(F)C1
InChIInChI=1S/C13H24F2N2/c1-10-4-3-5-11(2)17(10)16-9-12-6-7-13(14,15)8-12/h10-12,16H,3-9H2,1-2H3
InChIKeyNOKURKYMINKIJD-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.19
Rot. Bonds3

About N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine

N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 114223902) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine
PubChem CID114223902
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC NameN-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCC1CCC(F)(F)C1
InChIInChI=1S/C13H24F2N2/c1-10-4-3-5-11(2)17(10)16-9-12-6-7-13(14,15)8-12/h10-12,16H,3-9H2,1-2H3
InChIKeyNOKURKYMINKIJD-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine (CID 114223902) is N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine is CC1CCCC(C)N1NCC1CCC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is NOKURKYMINKIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-10-4-3-5-11(2)17(10)16-9-12-6-7-13(14,15)8-12/h10-12,16H,3-9H2,1-2H3.
What are the key properties of N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine?
N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 246.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 114223902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).