1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine

C15H24N4O — CID 80553095

IUPAC1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCOc1cccc(N2CCC(N3CCC(N)CC3)C2)n1
InChIInChI=1S/C15H24N4O/c1-20-15-4-2-3-14(17-15)19-10-7-13(11-19)18-8-5-12(16)6-9-18/h2-4,12-13H,5-11,16H2,1H3
InChIKeyHRFZOBHIJXBOBN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.09
Rot. Bonds3

About 1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553095) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553095
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCOc1cccc(N2CCC(N3CCC(N)CC3)C2)n1
InChIInChI=1S/C15H24N4O/c1-20-15-4-2-3-14(17-15)19-10-7-13(11-19)18-8-5-12(16)6-9-18/h2-4,12-13H,5-11,16H2,1H3
InChIKeyHRFZOBHIJXBOBN-UHFFFAOYSA-N
XLogP1.09
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine (CID 80553095) is 1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine is COc1cccc(N2CCC(N3CCC(N)CC3)C2)n1.
What is the InChIKey of 1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is HRFZOBHIJXBOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-20-15-4-2-3-14(17-15)19-10-7-13(11-19)18-8-5-12(16)6-9-18/h2-4,12-13H,5-11,16H2,1H3.
What are the key properties of 1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methoxy-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).