1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine

C8H16FN3 — CID 171530774

IUPAC1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine
SMILESC=C(CN)N1CCC(N)C(F)C1
InChIInChI=1S/C8H16FN3/c1-6(4-10)12-3-2-8(11)7(9)5-12/h7-8H,1-5,10-11H2
InChIKeyQCBFQQPOMQGIJS-UHFFFAOYSA-N
MW173.23 g/mol
LogP-0.17
Rot. Bonds2

About 1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine

1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine (PubChem CID 171530774) has the molecular formula C8H16FN3 and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine.

Molecular Properties

Compound Name1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine
PubChem CID171530774
Molecular FormulaC8H16FN3
Molecular Weight173.23 g/mol
Exact Mass173.13
IUPAC Name1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine
SMILESC=C(CN)N1CCC(N)C(F)C1
InChIInChI=1S/C8H16FN3/c1-6(4-10)12-3-2-8(11)7(9)5-12/h7-8H,1-5,10-11H2
InChIKeyQCBFQQPOMQGIJS-UHFFFAOYSA-N
XLogP-0.17
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine?
The IUPAC name of 1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine (CID 171530774) is 1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine.
What is the SMILES notation for 1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine?
The canonical SMILES for 1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine is C=C(CN)N1CCC(N)C(F)C1.
What is the InChIKey of 1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine?
The InChIKey is QCBFQQPOMQGIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3/c1-6(4-10)12-3-2-8(11)7(9)5-12/h7-8H,1-5,10-11H2.
What are the key properties of 1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine?
1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine has a molecular weight of 173.23 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine is sourced from PubChem (CID 171530774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).