6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine

C14H21F2N3 — CID 164513490

IUPAC6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCCN2CCC(F)(F)CC2)c1
InChIInChI=1S/C14H21F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,2-8H2,1H3,(H2,17,18)
InChIKeyQUDAAAGCJFIIKZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.64
Rot. Bonds4

About 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine

6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine (PubChem CID 164513490) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine
PubChem CID164513490
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCCN2CCC(F)(F)CC2)c1
InChIInChI=1S/C14H21F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,2-8H2,1H3,(H2,17,18)
InChIKeyQUDAAAGCJFIIKZ-UHFFFAOYSA-N
XLogP2.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine (CID 164513490) is 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCCN2CCC(F)(F)CC2)c1.
What is the InChIKey of 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine?
The InChIKey is QUDAAAGCJFIIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,2-8H2,1H3,(H2,17,18).
What are the key properties of 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine?
6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine has a molecular weight of 269.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 164513490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).