1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine

C16H25FN4 — CID 83109808

IUPAC1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(c1ccc(F)cn1)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C16H25FN4/c1-12(16-3-2-13(17)10-19-16)21-9-6-15(11-21)20-7-4-14(18)5-8-20/h2-3,10,12,14-15H,4-9,11,18H2,1H3
InChIKeyYAUUWTWWYSJCIQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.78
Rot. Bonds3

About 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine

1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 83109808) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
PubChem CID83109808
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC Name1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(c1ccc(F)cn1)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C16H25FN4/c1-12(16-3-2-13(17)10-19-16)21-9-6-15(11-21)20-7-4-14(18)5-8-20/h2-3,10,12,14-15H,4-9,11,18H2,1H3
InChIKeyYAUUWTWWYSJCIQ-UHFFFAOYSA-N
XLogP1.78
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine (CID 83109808) is 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine is CC(c1ccc(F)cn1)N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is YAUUWTWWYSJCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-12(16-3-2-13(17)10-19-16)21-9-6-15(11-21)20-7-4-14(18)5-8-20/h2-3,10,12,14-15H,4-9,11,18H2,1H3.
What are the key properties of 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 292.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 83109808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).