1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine

C10H20FN3 — CID 171530885

IUPAC1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine
SMILESC=C(CN(C)C)N1CCC(N)C(F)C1
InChIInChI=1S/C10H20FN3/c1-8(6-13(2)3)14-5-4-10(12)9(11)7-14/h9-10H,1,4-7,12H2,2-3H3
InChIKeyHAMVBTGWIAQXLE-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.43
Rot. Bonds3

About 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine

1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine (PubChem CID 171530885) has the molecular formula C10H20FN3 and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine
PubChem CID171530885
Molecular FormulaC10H20FN3
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine
SMILESC=C(CN(C)C)N1CCC(N)C(F)C1
InChIInChI=1S/C10H20FN3/c1-8(6-13(2)3)14-5-4-10(12)9(11)7-14/h9-10H,1,4-7,12H2,2-3H3
InChIKeyHAMVBTGWIAQXLE-UHFFFAOYSA-N
XLogP0.43
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.43
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-fluoropiperidin-4-amine?
The IUPAC name of 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine (CID 171530885) is 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine.
What is the SMILES notation for 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine?
The canonical SMILES for 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine is C=C(CN(C)C)N1CCC(N)C(F)C1.
What is the InChIKey of 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine?
The InChIKey is HAMVBTGWIAQXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN3/c1-8(6-13(2)3)14-5-4-10(12)9(11)7-14/h9-10H,1,4-7,12H2,2-3H3.
What are the key properties of 1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine?
1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine has a molecular weight of 201.29 g/mol, XLogP of 0.43, 3 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-fluoropiperidin-4-amine is sourced from PubChem (CID 171530885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).