4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine

C11H18N4 — CID 145199464

IUPAC4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine
SMILESC[C@@H]1CC(N)CN(c2ccncc2N)C1
InChIInChI=1S/C11H18N4/c1-8-4-9(12)7-15(6-8)11-2-3-14-5-10(11)13/h2-3,5,8-9H,4,6-7,12-13H2,1H3/t8-,9?/m1/s1
InChIKeyHDJBLNQODBXOTK-VEDVMXKPSA-N
MW206.29 g/mol
LogP0.84
Rot. Bonds1

About 4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine

4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine (PubChem CID 145199464) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine
PubChem CID145199464
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine
SMILESC[C@@H]1CC(N)CN(c2ccncc2N)C1
InChIInChI=1S/C11H18N4/c1-8-4-9(12)7-15(6-8)11-2-3-14-5-10(11)13/h2-3,5,8-9H,4,6-7,12-13H2,1H3/t8-,9?/m1/s1
InChIKeyHDJBLNQODBXOTK-VEDVMXKPSA-N
XLogP0.84
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine?
The IUPAC name of 4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine (CID 145199464) is 4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine?
The canonical SMILES for 4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine is C[C@@H]1CC(N)CN(c2ccncc2N)C1.
What is the InChIKey of 4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine?
The InChIKey is HDJBLNQODBXOTK-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-4-9(12)7-15(6-8)11-2-3-14-5-10(11)13/h2-3,5,8-9H,4,6-7,12-13H2,1H3/t8-,9?/m1/s1.
What are the key properties of 4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine?
4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 145199464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).