N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine

C12H17F2N3 — CID 134542653

IUPACN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine
SMILESCc1ccc(NC[C@H]2CCNCC2(F)F)nc1
InChIInChI=1S/C12H17F2N3/c1-9-2-3-11(16-6-9)17-7-10-4-5-15-8-12(10,13)14/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyQDMXJMGSVLLFDN-SNVBAGLBSA-N
MW241.28 g/mol
LogP2.05
Rot. Bonds3

About N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine

N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine (PubChem CID 134542653) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine
PubChem CID134542653
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine
SMILESCc1ccc(NC[C@H]2CCNCC2(F)F)nc1
InChIInChI=1S/C12H17F2N3/c1-9-2-3-11(16-6-9)17-7-10-4-5-15-8-12(10,13)14/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyQDMXJMGSVLLFDN-SNVBAGLBSA-N
XLogP2.05
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine?
The IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine (CID 134542653) is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine?
The canonical SMILES for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine is Cc1ccc(NC[C@H]2CCNCC2(F)F)nc1.
What is the InChIKey of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine?
The InChIKey is QDMXJMGSVLLFDN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-9-2-3-11(16-6-9)17-7-10-4-5-15-8-12(10,13)14/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine?
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine has a molecular weight of 241.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 134542653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).