5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine

C19H31N3O — CID 11666852

IUPAC5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine
SMILESc1cc(OCCCN2CCCCC2)ncc1CN1CCCCC1
InChIInChI=1S/C19H31N3O/c1-3-10-21(11-4-1)14-7-15-23-19-9-8-18(16-20-19)17-22-12-5-2-6-13-22/h8-9,16H,1-7,10-15,17H2
InChIKeyMJFRUZWZLAZUGG-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.32
Rot. Bonds7

About 5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine

5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine (PubChem CID 11666852) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine
PubChem CID11666852
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine
SMILESc1cc(OCCCN2CCCCC2)ncc1CN1CCCCC1
InChIInChI=1S/C19H31N3O/c1-3-10-21(11-4-1)14-7-15-23-19-9-8-18(16-20-19)17-22-12-5-2-6-13-22/h8-9,16H,1-7,10-15,17H2
InChIKeyMJFRUZWZLAZUGG-UHFFFAOYSA-N
XLogP3.32
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine?
The IUPAC name of 5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine (CID 11666852) is 5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine is c1cc(OCCCN2CCCCC2)ncc1CN1CCCCC1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine?
The InChIKey is MJFRUZWZLAZUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-3-10-21(11-4-1)14-7-15-23-19-9-8-18(16-20-19)17-22-12-5-2-6-13-22/h8-9,16H,1-7,10-15,17H2.
What are the key properties of 5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine?
5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine has a molecular weight of 317.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-2-(3-piperidin-1-ylpropoxy)pyridine is sourced from PubChem (CID 11666852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).