3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine

C15H20N4 — CID 56822813

IUPAC3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine
SMILESCC1CCCN(Cn2nccc2-c2cccnc2)C1
InChIInChI=1S/C15H20N4/c1-13-4-3-9-18(11-13)12-19-15(6-8-17-19)14-5-2-7-16-10-14/h2,5-8,10,13H,3-4,9,11-12H2,1H3
InChIKeyFIYIDQPTORBSOZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.63
Rot. Bonds3

About 3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine

3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine (PubChem CID 56822813) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine
PubChem CID56822813
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine
SMILESCC1CCCN(Cn2nccc2-c2cccnc2)C1
InChIInChI=1S/C15H20N4/c1-13-4-3-9-18(11-13)12-19-15(6-8-17-19)14-5-2-7-16-10-14/h2,5-8,10,13H,3-4,9,11-12H2,1H3
InChIKeyFIYIDQPTORBSOZ-UHFFFAOYSA-N
XLogP2.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine?
The IUPAC name of 3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine (CID 56822813) is 3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine is CC1CCCN(Cn2nccc2-c2cccnc2)C1.
What is the InChIKey of 3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine?
The InChIKey is FIYIDQPTORBSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-13-4-3-9-18(11-13)12-19-15(6-8-17-19)14-5-2-7-16-10-14/h2,5-8,10,13H,3-4,9,11-12H2,1H3.
What are the key properties of 3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine?
3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine has a molecular weight of 256.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-methylpiperidin-1-yl)methyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 56822813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).