N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen

C14H24FN3 — CID 142305923

IUPACN-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen
SMILESCC(C)c1cncc(NC2CCN(C)CC2F)c1.[H][H]
InChIInChI=1S/C14H22FN3.H2/c1-10(2)11-6-12(8-16-7-11)17-14-4-5-18(3)9-13(14)15;/h6-8,10,13-14,17H,4-5,9H2,1-3H3;1H
InChIKeyNWMIFXYSEZOKHB-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.91
Rot. Bonds3

About N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen

N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen (PubChem CID 142305923) has the molecular formula C14H24FN3 and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen.

Molecular Properties

Compound NameN-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen
PubChem CID142305923
Molecular FormulaC14H24FN3
Molecular Weight253.37 g/mol
Exact Mass253.20
IUPAC NameN-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen
SMILESCC(C)c1cncc(NC2CCN(C)CC2F)c1.[H][H]
InChIInChI=1S/C14H22FN3.H2/c1-10(2)11-6-12(8-16-7-11)17-14-4-5-18(3)9-13(14)15;/h6-8,10,13-14,17H,4-5,9H2,1-3H3;1H
InChIKeyNWMIFXYSEZOKHB-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen?
The IUPAC name of N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen (CID 142305923) is N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen.
What is the SMILES notation for N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen?
The canonical SMILES for N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen is CC(C)c1cncc(NC2CCN(C)CC2F)c1.[H][H].
What is the InChIKey of N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen?
The InChIKey is NWMIFXYSEZOKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3.H2/c1-10(2)11-6-12(8-16-7-11)17-14-4-5-18(3)9-13(14)15;/h6-8,10,13-14,17H,4-5,9H2,1-3H3;1H.
What are the key properties of N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen?
N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen has a molecular weight of 253.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-1-methylpiperidin-4-yl)-5-propan-2-ylpyridin-3-amine;molecular hydrogen is sourced from PubChem (CID 142305923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).