2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine

C13H16F2N2O2 — CID 106632861

IUPAC2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine
SMILESFC1(F)Oc2ccc(NCC3CCCCN3)cc2O1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)18-11-5-4-9(7-12(11)19-13)17-8-10-3-1-2-6-16-10/h4-5,7,10,16-17H,1-3,6,8H2
InChIKeyWIUARINUOWGZOY-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.56
Rot. Bonds3

About 2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine

2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine (PubChem CID 106632861) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine.

Molecular Properties

Compound Name2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine
PubChem CID106632861
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine
SMILESFC1(F)Oc2ccc(NCC3CCCCN3)cc2O1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)18-11-5-4-9(7-12(11)19-13)17-8-10-3-1-2-6-16-10/h4-5,7,10,16-17H,1-3,6,8H2
InChIKeyWIUARINUOWGZOY-UHFFFAOYSA-N
XLogP2.56
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide
CID 61371585
2-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 117490561
4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
CID 115054169
N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine
CID 115209215
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)-1,3-benzodioxol-5-amine
CID 107911357
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
CID 115041678
(2S)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine
CID 66519154
4-cyclopentyloxy-N-(piperidin-2-ylmethyl)aniline
CID 106633330
1-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]methyl]cyclohexan-1-ol
CID 60896395
2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione
CID 106632832
N-(piperidin-2-ylmethyl)-1H-indazol-5-amine
CID 106633290
N-butyl-2,2-difluoro-1,3-benzodioxol-5-amine
CID 29277454

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine?
The IUPAC name of 2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine (CID 106632861) is 2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine.
What is the SMILES notation for 2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine?
The canonical SMILES for 2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine is FC1(F)Oc2ccc(NCC3CCCCN3)cc2O1.
What is the InChIKey of 2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine?
The InChIKey is WIUARINUOWGZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-13(15)18-11-5-4-9(7-12(11)19-13)17-8-10-3-1-2-6-16-10/h4-5,7,10,16-17H,1-3,6,8H2.
What are the key properties of 2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine?
2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine has a molecular weight of 270.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-amine is sourced from PubChem (CID 106632861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).