1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine

C11H22FN3 — CID 176992197

IUPAC1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine
SMILESC=C(CN(C)C)N1CCC(NC)C(F)C1
InChIInChI=1S/C11H22FN3/c1-9(7-14(3)4)15-6-5-11(13-2)10(12)8-15/h10-11,13H,1,5-8H2,2-4H3
InChIKeyASBUMMVEGHYFEH-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.69
Rot. Bonds4

About 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine

1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine (PubChem CID 176992197) has the molecular formula C11H22FN3 and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine
PubChem CID176992197
Molecular FormulaC11H22FN3
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Name1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine
SMILESC=C(CN(C)C)N1CCC(NC)C(F)C1
InChIInChI=1S/C11H22FN3/c1-9(7-14(3)4)15-6-5-11(13-2)10(12)8-15/h10-11,13H,1,5-8H2,2-4H3
InChIKeyASBUMMVEGHYFEH-UHFFFAOYSA-N
XLogP0.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine?
The IUPAC name of 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine (CID 176992197) is 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine is C=C(CN(C)C)N1CCC(NC)C(F)C1.
What is the InChIKey of 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine?
The InChIKey is ASBUMMVEGHYFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN3/c1-9(7-14(3)4)15-6-5-11(13-2)10(12)8-15/h10-11,13H,1,5-8H2,2-4H3.
What are the key properties of 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine?
1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine has a molecular weight of 215.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine is sourced from PubChem (CID 176992197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).