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

C14H17F2N3 — CID 164513484

IUPAC6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C#CCN2CCC(F)(F)CC2)c1
InChIInChI=1S/C14H17F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,4-8H2,1H3,(H2,17,18)
InChIKeySHKLMOHQZBDLIM-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.05
Rot. Bonds1

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

6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine (PubChem CID 164513484) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine
PubChem CID164513484
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(C#CCN2CCC(F)(F)CC2)c1
InChIInChI=1S/C14H17F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,4-8H2,1H3,(H2,17,18)
InChIKeySHKLMOHQZBDLIM-UHFFFAOYSA-N
XLogP2.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine with MolForge

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Related Compounds

2-Amino-4,6-dimethylpyridine
CID 21507
4-Methyl-6-propylpyridin-2-amine
CID 9855524
6-Isobutyl-4-methylpyridin-2-amine
CID 10197851
6-(2-Fluoropropyl)-4-methylpyridin-2-amine
CID 42625451
(E)-4-Methyl-6-(prop-1-enyl)pyridin-2-amine
CID 42625452
6-(3-Fluoropropyl)-4-methylpyridin-2-amine
CID 42625617
4-Methyl-6-(2-methylprop-1-enyl)pyridin-2-amine
CID 42625621
6,6'-Pentane-1,5-Diylbis(4-Methylpyridin-2-Amine)
CID 71627409
N1-(3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-(Trifluoromethyl)phenyl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91819607
6-(2-{3-Fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine
CID 130449136
6-(2-{3-[3-(Dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
CID 130449158
6-(2-{3-Fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
CID 137530108

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine (CID 164513484) is 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(C#CCN2CCC(F)(F)CC2)c1.
What is the InChIKey of 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine?
The InChIKey is SHKLMOHQZBDLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,4-8H2,1H3,(H2,17,18).
What are the key properties of 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine?
6-[3-(4,4-difluoropiperidin-1-yl)prop-1-ynyl]-4-methylpyridin-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.05, 1 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)prop-1-ynyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 164513484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).