6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine

C15H24N4 — CID 80653539

IUPAC6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine
SMILESNc1cccc(N2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C15H24N4/c16-14-4-3-5-15(17-14)19-10-6-13(7-11-19)12-18-8-1-2-9-18/h3-5,13H,1-2,6-12H2,(H2,16,17)
InChIKeyLBKAOLNLXWKAHU-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.98
Rot. Bonds3

About 6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine

6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine (PubChem CID 80653539) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine
PubChem CID80653539
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine
SMILESNc1cccc(N2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C15H24N4/c16-14-4-3-5-15(17-14)19-10-6-13(7-11-19)12-18-8-1-2-9-18/h3-5,13H,1-2,6-12H2,(H2,16,17)
InChIKeyLBKAOLNLXWKAHU-UHFFFAOYSA-N
XLogP1.98
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine?
The IUPAC name of 6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine (CID 80653539) is 6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine.
What is the SMILES notation for 6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine?
The canonical SMILES for 6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine is Nc1cccc(N2CCC(CN3CCCC3)CC2)n1.
What is the InChIKey of 6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine?
The InChIKey is LBKAOLNLXWKAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c16-14-4-3-5-15(17-14)19-10-6-13(7-11-19)12-18-8-1-2-9-18/h3-5,13H,1-2,6-12H2,(H2,16,17).
What are the key properties of 6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine?
6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine has a molecular weight of 260.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 80653539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).