4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine

C18H25N5 — CID 162786162

IUPAC4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine
SMILESc1cc(-c2ccn(C3CCN(C4CCNCC4)CC3)n2)ccn1
InChIInChI=1S/C18H25N5/c1-8-19-9-2-15(1)18-7-14-23(21-18)17-5-12-22(13-6-17)16-3-10-20-11-4-16/h1-2,7-9,14,16-17,20H,3-6,10-13H2
InChIKeyMUHFALOTSFYCSE-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.33
Rot. Bonds3

About 4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine

4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine (PubChem CID 162786162) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine
PubChem CID162786162
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine
SMILESc1cc(-c2ccn(C3CCN(C4CCNCC4)CC3)n2)ccn1
InChIInChI=1S/C18H25N5/c1-8-19-9-2-15(1)18-7-14-23(21-18)17-5-12-22(13-6-17)16-3-10-20-11-4-16/h1-2,7-9,14,16-17,20H,3-6,10-13H2
InChIKeyMUHFALOTSFYCSE-UHFFFAOYSA-N
XLogP2.33
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine?
The IUPAC name of 4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine (CID 162786162) is 4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine is c1cc(-c2ccn(C3CCN(C4CCNCC4)CC3)n2)ccn1.
What is the InChIKey of 4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine?
The InChIKey is MUHFALOTSFYCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-8-19-9-2-15(1)18-7-14-23(21-18)17-5-12-22(13-6-17)16-3-10-20-11-4-16/h1-2,7-9,14,16-17,20H,3-6,10-13H2.
What are the key properties of 4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine?
4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine has a molecular weight of 311.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 162786162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).