6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine

C11H15F2N3 — CID 70909979

IUPAC6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine
SMILESNc1ccc(CN2CCC(F)(F)CC2)nc1
InChIInChI=1S/C11H15F2N3/c12-11(13)3-5-16(6-4-11)8-10-2-1-9(14)7-15-10/h1-2,7H,3-6,8,14H2
InChIKeyPVRNNCSIJLGNSL-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.89
Rot. Bonds2

About 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine

6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine (PubChem CID 70909979) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine
PubChem CID70909979
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine
SMILESNc1ccc(CN2CCC(F)(F)CC2)nc1
InChIInChI=1S/C11H15F2N3/c12-11(13)3-5-16(6-4-11)8-10-2-1-9(14)7-15-10/h1-2,7H,3-6,8,14H2
InChIKeyPVRNNCSIJLGNSL-UHFFFAOYSA-N
XLogP1.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4,4-difluoropiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 138556275
4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde
CID 174688930
5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine
CID 143579558
6-[(3-methoxypiperidin-1-yl)methyl]pyridin-3-amine
CID 102963724
2-[(3,3-difluoroazetidin-1-yl)methyl]-5-iodopyridine
CID 170093023
6-(3-pyrrolidin-1-ylpropyl)pyridin-3-amine
CID 154654076
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyridin-3-ol
CID 82979433
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
(5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 138985813
2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine
CID 79251522

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine (CID 70909979) is 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine is Nc1ccc(CN2CCC(F)(F)CC2)nc1.
What is the InChIKey of 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine?
The InChIKey is PVRNNCSIJLGNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c12-11(13)3-5-16(6-4-11)8-10-2-1-9(14)7-15-10/h1-2,7H,3-6,8,14H2.
What are the key properties of 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine?
6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine has a molecular weight of 227.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 70909979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).