4-piperidin-4-yl-3H-pyridine-2,4-diamine

C10H18N4 — CID 154490813

IUPAC4-piperidin-4-yl-3H-pyridine-2,4-diamine
SMILESNC1=NC=CC(N)(C2CCNCC2)C1
InChIInChI=1S/C10H18N4/c11-9-7-10(12,3-6-14-9)8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7,12H2,(H2,11,14)
InChIKeyGQCUQZWBOQZVQM-UHFFFAOYSA-N
MW194.28 g/mol
LogP-0.04
Rot. Bonds1

About 4-piperidin-4-yl-3H-pyridine-2,4-diamine

4-piperidin-4-yl-3H-pyridine-2,4-diamine (PubChem CID 154490813) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-piperidin-4-yl-3H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-piperidin-4-yl-3H-pyridine-2,4-diamine
PubChem CID154490813
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-piperidin-4-yl-3H-pyridine-2,4-diamine
SMILESNC1=NC=CC(N)(C2CCNCC2)C1
InChIInChI=1S/C10H18N4/c11-9-7-10(12,3-6-14-9)8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7,12H2,(H2,11,14)
InChIKeyGQCUQZWBOQZVQM-UHFFFAOYSA-N
XLogP-0.04
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-3H-pyridine-2,4-diamine?
The IUPAC name of 4-piperidin-4-yl-3H-pyridine-2,4-diamine (CID 154490813) is 4-piperidin-4-yl-3H-pyridine-2,4-diamine.
What is the SMILES notation for 4-piperidin-4-yl-3H-pyridine-2,4-diamine?
The canonical SMILES for 4-piperidin-4-yl-3H-pyridine-2,4-diamine is NC1=NC=CC(N)(C2CCNCC2)C1.
What is the InChIKey of 4-piperidin-4-yl-3H-pyridine-2,4-diamine?
The InChIKey is GQCUQZWBOQZVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c11-9-7-10(12,3-6-14-9)8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7,12H2,(H2,11,14).
What are the key properties of 4-piperidin-4-yl-3H-pyridine-2,4-diamine?
4-piperidin-4-yl-3H-pyridine-2,4-diamine has a molecular weight of 194.28 g/mol, XLogP of -0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-3H-pyridine-2,4-diamine is sourced from PubChem (CID 154490813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).